data_1vae_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 1vae _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.443 ' CZ2' HD11 ' A' ' 95' ' ' LEU . 36.4 m95 -106.05 149.65 26.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.015 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.488 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -76.81 177.31 2.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.016 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.96 150.25 38.07 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 132.94 15.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -88.62 167.67 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.46 102.9 0.99 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.416 HD11 ' CB ' ' A' ' 54' ' ' ALA . 7.4 mt -96.89 154.16 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.39 110.45 6.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -157.13 177.41 11.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -118.25 108.06 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 24' ' ' GLU . 38.5 t -40.65 159.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.442 ' N ' HG13 ' A' ' 23' ' ' VAL . 6.6 mm-40 -127.9 105.22 8.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.86 53.94 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.46 -40.96 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -153.09 89.19 1.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 0.736 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.2 mt -64.67 -28.65 69.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 82.54 -2.54 85.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -149.17 171.73 15.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 0.786 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -135.49 176.69 8.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.521 ' N ' ' OG1' ' A' ' 31' ' ' THR . 57.4 mt -125.08 119.56 28.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -117.27 165.45 13.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.64 -161.87 31.26 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.4 OUTLIER -109.98 -69.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.552 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.1 t -174.96 140.4 0.65 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -74.98 131.94 25.89 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.995 -0.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.473 ' N ' ' HA ' ' A' ' 36' ' ' THR . 20.7 m -50.55 150.69 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.595 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 20.4 mt-30 -115.43 167.71 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.9 t -100.75 113.6 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -103.56 65.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.605 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 3.8 m-85 -40.35 123.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.6 mt -107.14 -28.53 9.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.07 134.13 25.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -31.29 6.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -93.56 26.36 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.589 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 7.9 p -63.2 -123.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.61 -58.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.94 -49.36 50.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.534 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.8 t -58.78 -52.01 67.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 47' ' ' CYS . 29.4 mt -53.44 -29.46 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.42 -58.86 5.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.26 44.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.041 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' CB ' HD11 ' A' ' 19' ' ' ILE . . . -111.29 -172.8 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.781 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -144.31 -171.59 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.62 163.21 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.456 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 57.64 15.93 20.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -68.49 120.45 14.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 0.737 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.595 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 71.4 m-85 -93.34 107.3 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.7 mt -63.77 135.97 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.4 ' CG1' HG22 ' A' ' 93' ' ' VAL . 5.3 m -113.5 -36.18 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 34.8 m -154.58 157.83 38.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.5 mt -136.31 102.4 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 74.61 8.12 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.25 -21.87 9.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 62' ' ' SER . 75.3 t -63.82 154.9 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.75 120.34 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.7 m -133.38 53.09 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 108.32 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.45 -32.38 6.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -102.24 -35.85 8.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 107.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.32 154.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.5 p -98.05 -147.28 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.47 ' CG2' HG11 ' A' ' 38' ' ' VAL . 50.5 t -85.4 -48.93 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 t -55.77 -53.91 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.78 -68.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 79' ' ' LEU . 56.0 t -44.45 -59.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.4 mmt -39.03 -45.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -72.61 -41.91 65.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.52 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -60.75 -26.17 67.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 mt -87.18 -46.9 9.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -54.34 -50.49 67.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.5 t -45.12 -45.02 10.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 26.9 m-85 -88.95 44.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.48 129.36 9.9 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.34 30.02 75.9 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -135.31 123.84 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.78 110.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 13.3 m -115.15 171.7 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -119.11 103.67 9.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 27.1 ttp -92.1 138.04 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -119.71 128.73 54.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.6 m -128.39 154.61 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.4 HG22 ' CG1' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -130.69 143.26 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -85.33 144.12 28.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.443 HD11 ' CZ2' ' A' ' 13' ' ' TRP . 35.2 tp -99.07 128.24 45.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.566 ' CH2' HD13 ' A' ' 95' ' ' LEU . 35.5 m95 -132.42 136.18 46.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 107.964 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -66.03 176.97 0.83 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.02 147.0 33.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.15 21.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.482 ' CG ' HG23 ' A' ' 92' ' ' VAL . 9.7 ptp180 -102.25 151.28 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.53 109.21 3.8 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.1 mt -100.51 152.73 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.76 111.16 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.637 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.581 ' CE1' ' HE1' ' A' ' 90' ' ' MET . 33.8 p90 -156.66 174.9 14.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -115.91 112.66 22.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 34.6 t -43.52 164.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.487 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.5 mt-10 -132.65 97.64 4.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.11 54.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.84 -38.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.086 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -156.09 89.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.759 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.3 mt -66.58 -38.23 86.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.99 0.53 68.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -153.47 173.41 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 0.755 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.522 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -134.91 176.5 8.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.522 ' N ' ' OG1' ' A' ' 31' ' ' THR . 84.4 mt -119.73 114.04 21.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 mtt-85 -107.86 166.67 10.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.28 -174.08 54.43 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -95.96 -67.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.548 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.2 t -177.78 139.21 0.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.04 131.9 25.77 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.958 -2.517 . . . . 0.0 110.976 0.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.481 ' N ' ' HA ' ' A' ' 36' ' ' THR . 31.7 m -50.1 170.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.53 ' NE2' ' CE2' ' A' ' 59' ' ' TYR . 5.0 mt-30 -125.97 175.21 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.5 t -111.18 101.77 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -94.69 72.6 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.621 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CZ ' ' HA ' ' A' ' 50' ' ' SER . 3.6 m-85 -49.33 131.11 20.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.2 mt -110.03 -32.26 7.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -117.05 127.11 26.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -8.94 20.5 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.534 1.807 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -131.87 65.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 44' ' ' ASP . 1.2 p -108.59 -105.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -143.75 -67.45 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.59 -51.77 6.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.417 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -55.55 -58.01 9.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.5 mt -46.75 -48.5 20.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.442 ' CB ' ' HB3' ' A' ' 21' ' ' PHE . . . -40.49 -67.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.47 42.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -114.13 172.78 6.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -149.96 160.36 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -59.13 138.15 57.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.465 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 94.19 18.75 35.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.404 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 77.2 m-20 -85.52 127.1 34.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.53 ' CE2' ' NE2' ' A' ' 39' ' ' GLN . 15.0 m-85 -103.14 102.82 12.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.59 127.3 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.0 m -113.99 -36.54 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 1.3 p -142.04 169.2 18.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 62' ' ' SER . 18.2 mt -156.1 95.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 71.22 33.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.46 16.29 71.59 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.47 ' CG1' HD23 ' A' ' 79' ' ' LEU . 97.6 t -100.75 160.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -87.06 118.93 26.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 90.0 m -138.89 50.43 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 108.319 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.66 -34.32 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -99.44 -32.85 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.401 ' CD1' HD12 ' A' ' 79' ' ' LEU . 23.9 mt -44.18 154.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 48.0 p -94.59 -155.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.375 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.41 ' CG2' HG11 ' A' ' 38' ' ' VAL . 76.0 t -78.62 -46.62 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 t -59.85 -53.05 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.17 -69.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' LEU . 48.3 t -43.39 -58.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -39.94 -58.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -62.61 -33.32 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.47 HD23 ' CG1' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -67.83 -30.46 69.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 76' ' ' VAL . 3.2 mt -84.54 -45.16 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -55.8 -50.63 69.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 t -44.53 -45.19 9.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -89.22 37.83 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' A' ' 23' ' ' VAL . . . -70.92 125.97 13.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.17 31.39 69.15 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -139.48 121.68 15.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -56.67 119.91 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 18.0 m -126.15 164.41 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -110.37 98.63 7.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.581 ' HE1' ' CE1' ' A' ' 21' ' ' PHE . 22.6 ttp -93.45 132.92 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -108.93 131.63 54.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.482 HG23 ' CG ' ' A' ' 17' ' ' ARG . 23.9 m -126.26 155.46 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.18 161.79 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 m -103.76 142.23 34.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.566 HD13 ' CH2' ' A' ' 13' ' ' TRP . 0.5 OUTLIER -93.68 117.68 30.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.568 ' CZ3' ' HG ' ' A' ' 95' ' ' LEU . 68.2 m95 -105.9 152.09 23.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.64 172.4 9.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.99 36.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 132.27 15.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.479 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 8.9 ptp180 -95.48 169.35 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.32 105.25 1.52 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.405 ' CG2' ' HB2' ' A' ' 52' ' ' ALA . 11.0 mt -100.24 151.47 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -137.48 110.74 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.567 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CE1' ' HE2' ' A' ' 90' ' ' MET . 32.9 p90 -156.87 172.36 18.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -111.4 127.03 55.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 25.1 t -68.37 164.26 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.478 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 3.7 mt-10 -128.95 87.83 2.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.24 60.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -172.8 -38.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -162.45 94.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.1 mt -71.37 146.0 49.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -87.45 12.71 62.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -160.98 153.91 21.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.515 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -113.8 176.76 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.515 ' N ' ' OG1' ' A' ' 31' ' ' THR . 11.0 mt -129.35 150.02 50.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -146.51 165.58 29.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.48 -169.86 38.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -101.35 -67.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.549 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.7 t -178.5 139.81 0.38 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 132.0 26.1 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.028 -2.488 . . . . 0.0 111.011 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' N ' ' HA ' ' A' ' 36' ' ' THR . 17.3 m -49.52 146.75 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.608 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 63.4 mt-30 -112.48 133.51 54.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -69.84 117.03 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -106.62 77.78 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.604 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 1.5 m-85 -39.11 120.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.537 ' C ' ' CD1' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -114.94 -34.5 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.72 132.46 23.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -90.55 36.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.578 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.47 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 10.3 p -70.97 -125.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 108.335 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.5 p -138.88 -57.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.0 -40.5 44.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.553 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 7.0 t -67.62 -41.21 84.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.056 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD1' ' O ' ' A' ' 47' ' ' CYS . 29.1 mt -69.12 -17.79 63.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' HB2' ' CG2' ' A' ' 19' ' ' ILE . . . -80.75 -55.08 5.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.419 ' O ' ' NH1' ' A' ' 17' ' ' ARG . . . 145.47 45.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.94 165.39 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -122.54 -175.15 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.83 147.59 23.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.573 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 73.07 15.42 78.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -64.33 127.4 31.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.608 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 44.1 m-85 -99.12 107.48 19.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 68' ' ' CYS . 23.6 mt -60.43 129.29 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.3 m -113.33 -33.34 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.479 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 1.7 p -145.45 168.55 20.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CG1' ' O ' ' A' ' 62' ' ' SER . 14.0 mt -155.68 94.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 70.4 33.88 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.31 27.39 48.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.7 t -112.03 162.83 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 109.354 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.99 118.88 29.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' ILE . 59.9 m -138.87 50.81 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.88 -34.37 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -101.56 -23.16 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 107.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.4 mt -54.25 158.11 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.9 p -103.0 -159.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.471 ' CG2' HG13 ' A' ' 38' ' ' VAL . 85.4 t -72.27 -52.09 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -59.39 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.87 -71.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' LEU . 48.6 t -40.84 -62.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.429 ' HE1' ' CD1' ' A' ' 32' ' ' LEU . 1.9 mmt -37.67 -56.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -63.05 -39.69 95.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.2 OUTLIER -60.45 -31.84 70.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -83.72 -46.32 12.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' GLY . 6.5 mttm -51.65 -51.79 53.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.1 t -43.23 -43.21 4.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.47 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 21.4 m-85 -90.94 39.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -72.73 128.24 12.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.16 18.84 78.22 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -130.2 124.21 32.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.332 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.2 122.25 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 12.7 m -124.21 164.97 21.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.03 99.17 8.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.575 ' HE2' ' CE1' ' A' ' 21' ' ' PHE . 27.0 ttp -93.64 126.71 38.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 17' ' ' ARG . 5.5 mttt -105.17 133.9 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.476 HG22 ' CG ' ' A' ' 17' ' ' ARG . 27.2 m -129.79 153.8 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.7 m -129.68 141.72 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -86.97 143.81 27.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HG ' ' CZ3' ' A' ' 13' ' ' TRP . 1.6 mt -88.93 131.6 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.546 ' CH2' ' CD1' ' A' ' 95' ' ' LEU . 55.1 m95 -130.29 138.54 50.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -76.24 179.13 1.6 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 148.07 34.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 131.33 14.12 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.497 ' CG ' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -91.33 161.1 15.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.75 105.68 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.469 ' CD1' ' HD2' ' A' ' 17' ' ' ARG . 3.5 mt -99.75 151.68 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.49 111.13 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.588 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -156.82 176.98 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.13 113.41 24.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.498 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 24.7 t -47.37 165.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.498 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 2.5 mt-10 -129.27 81.81 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.21 61.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -175.95 -38.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -159.09 105.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.242 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.2 mt -94.05 145.02 24.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.57 26.71 14.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -171.22 165.95 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -132.96 176.92 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.53 ' N ' ' OG1' ' A' ' 31' ' ' THR . 33.6 mt -118.97 116.92 27.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -114.58 154.37 28.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.96 -162.85 25.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.434 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -107.32 -69.71 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.55 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -175.61 139.94 0.58 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.02 132.31 27.16 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.967 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.47 ' N ' ' HA ' ' A' ' 36' ' ' THR . 33.8 m -52.58 164.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 12.3 mt-30 -119.7 -174.03 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.62 108.88 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' PHE . 27.2 t60 -103.85 78.13 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 5.1 m-85 -37.14 137.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.8 mt -111.45 -31.05 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -132.73 140.67 38.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -38.82 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.77 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -92.35 30.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.58 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.44 ' SG ' ' CB ' ' A' ' 50' ' ' SER . 32.1 p -69.28 -139.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -117.96 -71.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' SER . . . -39.5 -58.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.562 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 8.5 t -47.29 -42.03 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.19 -36.87 84.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.45 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . . . -56.89 -61.95 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.77 43.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.55 152.75 29.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -115.86 -173.85 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.6 142.03 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.602 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 83.33 20.49 60.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -76.03 129.32 36.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 0.785 . . . . 0.0 109.356 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 27.6 m-85 -104.5 104.88 14.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.3 mt -57.84 130.31 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.462 ' CG1' HG22 ' A' ' 93' ' ' VAL . 15.3 m -111.64 -32.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 57.2 m -156.44 162.81 39.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.9 mt -146.04 104.09 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 70.51 29.29 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.36 -0.36 77.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 62' ' ' SER . 63.8 t -83.21 152.12 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.9 118.13 23.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 96.7 m -135.07 50.05 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.9 -32.53 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -104.3 -33.14 8.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 107.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 mt -42.95 148.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.7 p -88.92 -157.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.414 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.0 t -80.27 -41.1 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.5 t -64.66 -48.62 74.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.68 -65.24 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' LEU . 55.2 t -48.29 -52.84 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 mmt -47.05 -42.56 18.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -75.26 -24.79 57.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -78.47 -27.4 46.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 mt -87.05 -47.51 8.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -53.42 -50.88 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -46.13 -44.27 15.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.445 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 13.5 m-30 -88.97 38.15 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.33 128.24 15.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.42 27.03 73.49 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -133.27 123.29 25.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -59.03 116.38 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 10.6 m -122.3 174.2 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.74 98.88 6.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.407 ' SD ' ' CG1' ' A' ' 92' ' ' VAL . 0.6 OUTLIER -92.24 142.16 27.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -116.18 134.96 54.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.497 HG22 ' CG ' ' A' ' 17' ' ' ARG . 23.5 m -133.76 147.54 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.462 HG22 ' CG1' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -121.61 149.79 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -92.67 142.45 27.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.546 ' CD1' ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -96.54 128.45 43.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.689 ' CH2' ' CD1' ' A' ' 95' ' ' LEU . 37.5 m95 -129.1 128.78 44.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 108.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.523 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -60.93 179.07 0.24 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.01 147.61 34.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.542 1.812 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.12 22.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.53 ' CD ' ' CG2' ' A' ' 92' ' ' VAL . 10.3 ptm180 -99.01 161.25 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.32 112.46 3.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mt -103.19 153.72 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.21 110.47 6.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.474 ' CE1' ' HE2' ' A' ' 90' ' ' MET . 28.2 p90 -156.94 172.01 19.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -111.68 114.0 26.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 33.8 t -51.31 164.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.48 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 2.3 mt-10 -130.3 85.69 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.47 59.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -170.81 -39.92 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -157.94 102.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -85.33 146.23 27.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.94 24.36 26.84 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -170.83 168.08 7.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.527 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -133.44 176.71 8.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.527 ' N ' ' OG1' ' A' ' 31' ' ' THR . 73.5 mt -123.5 123.59 40.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.75 155.37 39.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.8 -164.81 20.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.15 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -103.3 -67.49 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.553 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER 178.8 141.16 0.28 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -75.0 132.54 27.92 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.033 -0.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.461 ' N ' ' HA ' ' A' ' 36' ' ' THR . 22.3 m -55.52 149.42 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.555 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 58.8 mt-30 -106.16 -174.15 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.8 t -123.13 109.98 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -99.88 71.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.641 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.499 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 3.3 m-85 -37.54 134.85 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.427 ' CD1' HG21 ' A' ' 31' ' ' THR . 58.5 mt -111.37 -39.03 4.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -116.0 137.01 23.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.241 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.28 3.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.417 ' O ' ' O ' ' A' ' 47' ' ' CYS . 24.4 m80 -98.36 30.66 3.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.596 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 46' ' ' HIS . 5.0 p -61.4 -118.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -147.73 -46.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.82 89.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.499 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.7 t -61.68 -44.41 97.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.019 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.64 -19.7 65.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.55 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.484 ' O ' ' CZ ' ' A' ' 17' ' ' ARG . . . 154.99 44.08 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.59 150.9 39.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.797 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' OD2' ' A' ' 58' ' ' ASP . 13.0 mtmt -114.01 -171.54 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.04 148.37 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.539 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 70.92 22.36 78.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.424 ' OD2' ' N ' ' A' ' 55' ' ' LYS . 42.5 m-20 -72.29 123.09 22.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.569 ' CE2' HD12 ' A' ' 95' ' ' LEU . 49.1 m-85 -96.55 109.14 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mt -62.65 128.52 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.6 m -110.37 -33.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.476 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -149.25 171.02 17.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 62' ' ' SER . 19.2 mt -155.66 100.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 71.2 24.09 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.33 29.2 22.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.458 ' CG1' HD23 ' A' ' 79' ' ' LEU . 78.7 t -113.74 156.05 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -76.33 117.85 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.7 m -140.46 46.33 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 108.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.31 -31.12 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -104.99 -32.41 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.008 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.9 mt -44.3 152.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 p -93.91 -162.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.3 t -72.49 -43.81 62.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.9 t -60.21 -57.76 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.36 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 32' ' ' LEU . 74.7 t -42.29 -56.78 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.9 mmt -43.46 -39.35 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -77.3 -38.67 50.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.599 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -64.78 -24.33 67.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 mt -87.67 -46.98 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -54.7 -50.2 68.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.1 t -47.11 -30.28 2.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 17.9 m-85 -104.94 38.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.78 129.22 15.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.12 17.84 74.23 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -126.67 128.93 47.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -64.05 121.47 14.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 11.5 m -126.11 169.46 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -114.54 99.98 7.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.474 ' HE2' ' CE1' ' A' ' 21' ' ' PHE . 37.2 ttp -92.19 133.85 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -107.65 136.55 47.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.53 ' CG2' ' CD ' ' A' ' 17' ' ' ARG . 26.9 m -133.79 162.7 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.24 173.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -113.72 145.98 40.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.689 ' CD1' ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -89.78 119.76 30.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.5 m95 -134.4 136.64 43.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.019 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -74.77 179.12 1.43 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.95 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 149.16 36.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.65 12.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.478 ' CG ' HG22 ' A' ' 92' ' ' VAL . 13.5 ptp180 -92.07 151.64 20.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.39 106.57 3.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.421 HD13 ' CB ' ' A' ' 54' ' ' ALA . 7.5 mt -95.86 151.63 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -138.1 110.46 7.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.438 ' CE1' ' HE3' ' A' ' 90' ' ' MET . 34.0 p90 -157.0 177.04 11.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -118.14 109.04 15.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 40.5 t -42.91 164.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.468 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.2 mt-10 -133.87 103.86 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.5 52.48 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.33 -41.26 0.03 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -152.3 93.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.61 -34.78 70.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 84.74 -1.4 88.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -152.55 165.42 35.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 111.047 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -131.15 176.87 7.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.389 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.519 ' N ' ' OG1' ' A' ' 31' ' ' THR . 66.1 mt -120.09 119.56 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -115.36 167.28 11.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.03 178.77 51.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -88.42 -74.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.539 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -173.65 138.58 0.76 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.03 132.24 26.91 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.983 0.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.471 ' N ' ' HA ' ' A' ' 36' ' ' THR . 24.6 m -50.91 173.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -128.09 172.08 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.426 HG11 ' CE2' ' A' ' 42' ' ' PHE . 70.5 t -104.67 103.17 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -95.7 67.74 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.594 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CE2' HG11 ' A' ' 40' ' ' VAL . 8.9 m-85 -49.55 138.67 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -111.7 -42.1 3.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.06 142.14 24.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -20.05 17.35 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -127.4 61.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.63 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 48' ' ' SER . 12.3 p -91.71 -48.49 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER 159.77 -73.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.02 -51.78 5.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.3 -38.98 66.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' SER . 5.8 mt -70.52 -26.97 63.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.46 -59.38 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.82 43.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.421 ' CB ' HD13 ' A' ' 19' ' ' ILE . . . -120.38 178.75 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -154.72 -175.6 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.95 165.68 22.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.545 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 66.43 10.51 53.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -76.98 127.26 32.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 37.3 m-85 -100.07 114.66 28.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.0 mt -65.25 131.18 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' CG1' HG21 ' A' ' 93' ' ' VAL . 5.7 m -113.45 -38.41 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 48.1 m -160.1 161.23 33.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.4 mt -138.02 118.0 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.9 -57.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.91 37.82 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.122 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 62' ' ' SER . 75.3 t -126.38 157.58 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.582 0.813 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.78 123.62 28.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.9 m -136.68 48.87 2.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.32 -28.42 8.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -104.71 -34.01 8.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.029 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -43.87 151.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 p -91.13 -158.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.453 ' CG2' HG13 ' A' ' 38' ' ' VAL . 21.7 t -75.85 -45.26 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -61.65 -58.68 7.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.63 -65.21 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' LEU . 84.4 t -51.4 -60.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -38.3 -40.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -74.56 -46.26 40.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -59.29 -22.72 61.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.34 -46.57 9.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -56.82 -48.51 77.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.9 t -46.2 -45.85 17.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.461 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 25.7 m-85 -89.21 45.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.12 131.41 11.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.75 72.96 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -133.26 125.64 29.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.41 111.65 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 8.4 m -117.99 175.02 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -119.79 101.81 8.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.438 ' HE3' ' CE1' ' A' ' 21' ' ' PHE . 31.2 ttp -92.19 138.04 31.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -114.79 136.4 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.478 HG22 ' CG ' ' A' ' 17' ' ' ARG . 17.9 m -135.6 151.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.45 HG21 ' CG1' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -133.34 142.11 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -89.19 140.97 28.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.9 tp -92.33 128.69 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.629 ' CH2' ' CD1' ' A' ' 95' ' ' LEU . 59.3 m95 -122.84 143.14 50.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.028 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -80.89 178.37 2.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.97 151.07 39.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 129.0 12.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.482 ' CG ' HG23 ' A' ' 92' ' ' VAL . 6.9 ptp180 -89.34 164.64 14.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -113.21 114.35 3.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.123 . . . . 0.0 111.049 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 7.4 mt -108.49 152.28 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.797 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.404 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -136.34 110.79 8.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.605 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CE1' ' HE1' ' A' ' 90' ' ' MET . 25.3 p90 -156.72 171.08 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.37 105.54 13.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 24' ' ' GLU . 43.1 t -40.12 155.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.437 ' N ' HG12 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -117.71 103.45 10.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.38 51.39 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.356 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.1 -39.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 111.044 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -154.87 86.79 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.4 mt -61.47 -41.45 97.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.35 0.18 65.44 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -153.28 166.81 31.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -127.07 179.09 5.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.539 ' N ' ' OG1' ' A' ' 31' ' ' THR . 56.3 mt -119.63 118.61 31.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.03 163.43 15.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.87 171.78 47.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.62 -70.45 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 0.732 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.521 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -176.06 136.65 0.47 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.439 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.99 132.09 26.39 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.017 0.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.465 ' N ' ' HA ' ' A' ' 36' ' ' THR . 17.6 m -51.56 178.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -130.54 169.21 15.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -104.44 115.28 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -109.26 100.07 9.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.563 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -78.18 108.54 11.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -78.91 -32.1 45.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -126.73 138.14 31.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -17.4 19.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.032 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 47' ' ' CYS . 18.0 m80 -106.39 25.09 11.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 46' ' ' HIS . 4.9 p -61.43 -118.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m -143.65 -63.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.37 -53.14 14.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 t -52.85 -46.95 68.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.049 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.79 -44.0 94.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.89 -62.87 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.03 44.45 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.423 ' HB2' ' CD1' ' A' ' 19' ' ' ILE . . . -113.04 -171.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.764 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.46 -171.65 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -92.77 149.31 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 77.69 5.15 86.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -56.9 122.68 12.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 50.3 m-85 -95.87 107.81 20.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mt -64.4 133.25 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.413 HG11 ' CG ' ' A' ' 69' ' ' LYS . 3.1 m -115.07 -36.7 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 20.6 m -150.46 162.84 39.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.4 mt -149.34 99.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 68.59 46.28 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.49 -0.82 68.23 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 62' ' ' SER . 48.8 t -85.58 164.76 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.769 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.91 121.34 41.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 57.2 m -134.11 28.91 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 108.302 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.413 ' CG ' HG11 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -96.64 -24.5 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -107.94 -33.07 7.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 107.955 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.428 ' CD1' ' CD1' ' A' ' 79' ' ' LEU . 18.6 mt -47.68 152.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.1 p -91.0 -144.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.4 t -88.25 -45.64 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -50.68 67.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.02 -67.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 79' ' ' LEU . 92.5 t -45.45 -56.32 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 76' ' ' VAL . 2.9 mmt -38.04 -49.33 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -44.41 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -57.53 -29.01 64.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -88.16 -47.94 8.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -53.78 -50.46 66.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -47.29 -44.18 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 22.6 m-85 -89.77 40.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.2 128.0 9.62 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.07 28.04 72.19 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -135.88 125.92 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -61.12 112.69 2.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 16.4 m -118.94 168.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -112.78 104.12 12.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.564 ' HE1' ' CE1' ' A' ' 21' ' ' PHE . 24.9 ttp -92.0 138.75 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -120.97 130.97 54.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.482 HG23 ' CG ' ' A' ' 17' ' ' ARG . 35.6 m -132.87 156.32 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 m -131.19 143.02 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 m -85.18 146.48 27.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.629 ' CD1' ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -98.35 118.37 34.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.57 ' CH2' ' CD1' ' A' ' 95' ' ' LEU . 37.1 m95 -103.19 139.49 38.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 108.0 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -71.73 179.8 0.91 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.053 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.04 149.77 37.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 138.63 23.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.504 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 23.0 mtp180 -90.91 165.4 13.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.11 99.69 0.93 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.576 1.173 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mt -96.81 151.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -139.86 110.71 6.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.436 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 39.6 p90 -156.97 175.96 13.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.2 118.44 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.447 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.464 HG22 ' CD2' ' A' ' 80' ' ' LEU . 77.4 t -53.53 146.65 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.458 ' N ' HG11 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -112.83 109.07 18.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.17 52.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.81 -40.13 0.03 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -156.81 88.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.423 HD21 ' CG1' ' A' ' 23' ' ' VAL . 66.5 mt -62.91 -27.65 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 86.86 -1.83 87.0 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -153.48 169.14 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.534 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -137.64 176.79 8.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.534 ' N ' ' OG1' ' A' ' 31' ' ' THR . 48.2 mt -120.75 137.64 54.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.54 159.99 40.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.65 -159.65 23.17 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.93 -72.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.774 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.541 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -174.85 138.75 0.62 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.364 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 132.44 27.56 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.981 0.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.469 ' N ' ' HA ' ' A' ' 36' ' ' THR . 26.8 m -49.97 159.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.54 ' NE2' ' CZ ' ' A' ' 59' ' ' TYR . 6.8 mt-30 -113.75 -179.78 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.6 t -119.2 108.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -99.8 85.64 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 1.9 m-85 -56.52 135.01 54.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 mt -115.38 -46.31 2.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -103.36 126.14 33.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.72 14.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -133.07 63.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.556 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.466 ' CB ' ' HA3' ' A' ' 29' ' ' GLY . 6.3 p -119.03 162.49 18.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 108.295 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.4 m -50.09 -62.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.475 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -40.6 -66.98 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.415 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 8.7 t -48.53 -53.94 16.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt -51.9 -27.58 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 49' ' ' ALA . . . -66.35 -50.19 64.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.48 43.57 0.11 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.71 165.97 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.29 168.53 19.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.36 156.03 35.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.59 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 73.89 15.76 79.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -79.82 134.3 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 27.1 m-85 -107.32 111.64 24.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.2 mt -61.54 134.94 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 m -117.46 -38.16 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 3.4 m -153.36 162.37 41.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.1 mt -145.83 104.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 68.69 32.21 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.95 -15.97 61.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.514 ' O ' ' CB ' ' A' ' 62' ' ' SER . 79.1 t -74.02 160.58 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -88.9 134.35 33.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.0 m -145.73 32.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 108.281 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -103.52 -28.27 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -107.93 -20.16 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 107.981 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.5 mt -60.87 150.78 31.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.4 p -85.74 -161.57 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.449 ' CG2' HG12 ' A' ' 38' ' ' VAL . 75.3 t -76.07 -39.22 36.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -69.89 -56.9 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.62 -67.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 32' ' ' LEU . 66.8 t -44.81 -60.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.0 mmt -39.26 -63.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -51.47 -34.97 37.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.468 ' CD1' HG13 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -67.7 -29.68 69.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.464 ' CD2' HG22 ' A' ' 23' ' ' VAL . 4.9 mt -78.26 -47.39 18.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -51.16 -52.11 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.3 t -44.2 -37.59 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.463 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 22.2 m-85 -98.17 38.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -71.63 125.72 11.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.094 . . . . 0.0 110.962 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.27 32.77 83.07 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -136.81 123.51 21.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.94 115.0 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 15.6 m -121.92 164.53 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -111.07 102.09 10.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.2 ttp -91.55 142.94 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 17' ' ' ARG . 1.4 mtmt -124.99 132.24 53.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.84 162.05 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -140.3 139.88 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.15 135.0 33.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.989 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.57 ' CD1' ' CH2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -82.74 130.26 35.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -121.05 127.3 51.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 107.987 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -63.69 178.63 0.39 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.96 147.92 34.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.459 1.768 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.51 34.26 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.486 ' CG ' HG22 ' A' ' 92' ' ' VAL . 2.3 ptp85 -111.19 127.53 55.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.32 103.56 2.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.6 mt -95.61 146.35 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.43 111.31 13.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.567 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -156.73 173.7 16.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -110.82 135.34 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.41 135.51 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.3 mp0 -80.71 5.35 15.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 24' ' ' GLU . 3.4 pt-20 32.69 58.19 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 134.98 -46.44 1.04 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 1.8 m-20 -103.82 49.95 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.2 mt -48.2 -34.68 10.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.2 -0.02 74.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -159.74 175.02 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -134.83 177.06 8.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.526 ' N ' ' OG1' ' A' ' 31' ' ' THR . 19.0 mt -118.78 133.95 55.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -130.59 155.79 45.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.84 -159.88 20.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -110.47 -69.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.544 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -176.88 138.99 0.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.0 132.71 28.47 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.994 -2.502 . . . . 0.0 110.997 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.462 ' N ' ' HA ' ' A' ' 36' ' ' THR . 22.2 m -54.4 147.32 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.597 ' OE1' ' CE2' ' A' ' 59' ' ' TYR . 3.9 mt-30 -101.85 -173.51 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -119.09 106.27 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -93.81 65.6 3.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.585 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -44.18 133.41 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.4 mt -116.9 -41.61 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.405 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 3.3 m-20 -108.7 114.26 58.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 0.77 8.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.768 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -122.29 37.25 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.616 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 44' ' ' ASP . 28.3 p -101.83 159.08 15.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' ALA . 13.0 p -48.73 -58.93 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.486 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -39.31 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -47.69 -52.8 17.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.72 -25.72 7.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 49' ' ' ALA . . . -69.77 -56.61 6.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.68 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.23 167.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -145.24 159.64 42.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.23 170.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.555 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 64.14 12.8 51.31 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -81.53 133.3 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.597 ' CE2' ' OE1' ' A' ' 39' ' ' GLN . 17.3 m-85 -104.96 114.56 28.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.8 mt -65.74 128.18 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.2 m -109.83 -39.53 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 39.2 m -157.28 167.39 30.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 97.0 mt -141.62 114.87 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.19 -57.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.81 36.69 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.142 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' SER . 67.3 t -125.44 157.46 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.85 122.62 27.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.6 m -134.66 46.37 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 108.319 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.19 -28.39 9.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -106.44 -36.4 6.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 107.996 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.5 mt -40.45 151.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.9 p -89.58 -159.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.5 t -79.21 -32.06 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -73.09 -61.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.046 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.98 -58.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' LEU . 82.8 t -56.3 -60.56 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 mmt -37.99 -39.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -75.47 -47.1 28.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -57.49 -22.67 45.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mt -88.75 -48.62 7.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 84' ' ' GLY . 21.5 mttt -56.38 -47.27 79.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.7 t -45.57 -35.55 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 29.4 m-85 -95.77 35.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.464 ' CA ' ' HB3' ' A' ' 25' ' ' GLU . . . -60.85 126.64 41.34 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.32 35.31 90.76 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -139.16 122.97 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 110.259 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.2 123.38 13.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.449 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 9.5 m -126.79 168.92 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.359 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -116.91 99.05 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.457 ' SD ' ' CG1' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -92.69 133.69 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.83 137.57 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.486 HG22 ' CG ' ' A' ' 17' ' ' ARG . 34.0 m -137.15 150.01 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.55 168.12 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.0 m -107.71 151.79 25.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.1 tp -102.7 128.99 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.49 ' CZ2' HD11 ' A' ' 95' ' ' LEU . 55.4 m95 -119.01 154.97 32.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -88.48 179.45 1.65 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.2 Cg_endo -75.05 148.33 34.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.34 12.22 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.474 ' CD ' ' CG2' ' A' ' 92' ' ' VAL . 13.4 ptp180 -84.8 158.67 20.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.9 105.32 2.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.7 mt -99.86 148.92 6.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.767 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -140.61 110.78 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.508 ' CE1' ' HE3' ' A' ' 90' ' ' MET . 36.0 p90 -157.0 177.5 11.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -115.21 122.44 46.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.436 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 39.6 t -57.06 165.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 28.2 mt-10 -131.34 85.61 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -69.62 57.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -171.06 -39.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -157.99 100.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.3 mt -84.93 147.43 26.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -93.44 23.44 30.12 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -171.34 176.26 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.534 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -143.1 176.66 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.412 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.534 ' N ' ' OG1' ' A' ' 31' ' ' THR . 44.6 mt -124.59 124.55 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.0 163.74 24.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.17 -154.64 21.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.03 -79.2 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.546 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.5 t -170.96 139.88 1.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.5 Cg_endo -74.92 132.73 28.5 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.007 -0.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.459 ' N ' ' HA ' ' A' ' 36' ' ' THR . 15.6 m -54.93 142.72 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.43 ' NE2' ' CZ ' ' A' ' 59' ' ' TYR . 8.2 mt-30 -96.08 -172.58 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.1 t -125.44 115.65 44.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -106.74 87.49 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.545 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.468 ' CZ ' ' HA ' ' A' ' 50' ' ' SER . 5.7 m-85 -57.86 128.84 39.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.1 mt -103.9 -29.26 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.413 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -126.06 128.45 24.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.567 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 18.5 Cg_endo -74.98 -9.71 20.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -131.61 65.73 1.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.473 ' CB ' ' HA3' ' A' ' 29' ' ' GLY . 1.2 p -108.32 -104.58 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 108.326 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' ALA . 40.6 m -146.75 -55.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.04 70.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . 1.7 t -64.29 -49.37 72.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.1 mt -65.81 -21.25 66.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -68.16 -61.27 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.08 43.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.86 157.53 30.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 pttm -132.84 169.04 17.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -69.25 131.69 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.561 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 94.79 19.26 32.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -83.22 133.03 35.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 20.3 m-85 -105.82 113.87 27.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.6 mt -61.4 127.83 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.469 ' CG1' HG23 ' A' ' 93' ' ' VAL . 31.0 m -113.11 -35.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 61.2 m -159.64 155.11 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.8 mt -135.32 113.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 75.3 -55.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.25 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.73 36.92 0.05 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 62' ' ' SER . 64.3 t -126.12 161.82 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.406 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -89.9 115.14 26.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.1 m -124.18 39.1 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.15 -25.47 14.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -104.6 -34.91 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.9 mt -48.53 158.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.6 p -99.83 -152.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.454 HG22 ' CG1' ' A' ' 38' ' ' VAL . 3.1 t -78.62 -42.02 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -39.43 -57.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' LEU . 81.9 t -57.59 -54.85 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.421 ' SD ' ' CE ' ' A' ' 81' ' ' LYS . 1.7 mmt -42.29 -44.68 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -71.84 -36.14 70.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -66.96 -23.47 65.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 mt -89.81 -47.35 7.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.421 ' CE ' ' SD ' ' A' ' 77' ' ' MET . 14.0 mttt -57.86 -48.44 79.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -47.11 -38.87 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.462 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 23.0 m-85 -94.55 39.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.36 129.74 23.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.0 33.71 86.53 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -137.03 121.19 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 0.0 110.29 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.27 113.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 5.1 m -118.81 177.78 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.24 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -126.33 98.54 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.508 ' HE3' ' CE1' ' A' ' 21' ' ' PHE . 44.5 ttp -95.94 126.95 41.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -106.22 141.25 37.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.474 ' CG2' ' CD ' ' A' ' 17' ' ' ARG . 10.6 m -136.32 156.66 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 61' ' ' VAL . 3.9 m -130.12 167.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.64 132.18 53.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.49 HD11 ' CZ2' ' A' ' 13' ' ' TRP . 11.1 tp -80.79 122.16 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -118.05 154.12 32.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 107.988 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -89.16 179.67 1.53 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.04 151.49 39.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.61 10.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 91' ' ' LYS . 18.4 mtp180 -85.97 153.43 22.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.45 110.31 3.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mt -106.04 151.75 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.339 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -140.36 110.41 6.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -157.12 174.44 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -114.18 108.16 16.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 37.8 t -43.05 164.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.466 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 3.6 mt-10 -126.96 84.68 2.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.06 58.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.28 -40.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -155.68 105.92 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.3 mt -92.92 147.45 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.9 24.96 30.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -168.93 163.18 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.524 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -129.43 176.87 7.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' N ' ' OG1' ' A' ' 31' ' ' THR . 81.6 mt -120.51 113.6 20.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -113.2 157.2 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.57 -166.19 30.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.08 -71.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.553 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.2 t -175.63 141.31 0.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.04 132.25 26.93 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.992 0.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' N ' ' HA ' ' A' ' 36' ' ' THR . 28.8 m -53.24 156.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.423 ' HG3' ' CD2' ' A' ' 59' ' ' TYR . 4.3 mt-30 -110.94 -171.35 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.6 t -125.47 112.5 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 42' ' ' PHE . 6.6 t60 -100.08 64.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.583 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -36.18 126.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.4 mt -111.01 -30.04 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.416 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 60.0 m-20 -126.58 113.82 22.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.471 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 18.4 Cg_endo -74.95 1.08 8.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.457 1.767 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 45' ' ' PRO . 34.6 m170 -144.45 60.76 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.627 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 44' ' ' ASP . 4.7 p -114.99 -50.44 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.416 ' N ' HD11 ' A' ' 51' ' ' LEU . 1.6 m 170.33 -67.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.48 -56.43 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -44.15 75.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 48' ' ' SER . 2.0 mt -66.26 -16.69 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.83 -55.5 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.79 44.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . . . -111.52 174.77 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -148.28 166.58 27.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -71.31 139.92 50.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.57 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 87.98 15.62 60.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -77.9 129.2 35.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 25.1 m-85 -103.09 117.54 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.6 mt -67.33 126.26 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.443 ' CG1' HG21 ' A' ' 93' ' ' VAL . 6.8 m -114.06 -38.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.8 m -151.35 162.55 40.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mt -147.66 106.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 77.38 -0.31 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.42 10.89 10.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.44 HG11 ' CD2' ' A' ' 79' ' ' LEU . 4.3 p -84.49 -177.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.89 93.72 4.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 61' ' ' VAL . 63.8 m -110.08 43.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.7 -24.83 13.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -110.39 -36.43 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.027 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.436 ' CD1' HD13 ' A' ' 79' ' ' LEU . 20.5 mt -41.81 154.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.5 p -94.15 -151.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.9 t -82.72 -51.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 t -55.03 -44.98 75.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.41 -71.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' LEU . 55.0 t -40.98 -59.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.4 mmt -37.75 -51.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -67.44 -41.07 85.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.2 OUTLIER -59.0 -31.0 68.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.7 mt -84.72 -46.17 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -53.99 -50.94 65.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 t -47.79 -43.39 27.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.466 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 16.0 m-30 -89.74 42.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.61 134.01 15.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.5 23.98 65.41 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -127.92 125.93 40.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 0.801 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.48 110.19 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 4.5 m -116.19 175.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -121.5 99.66 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -91.99 137.71 32.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -114.61 137.64 51.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.503 ' CG1' ' SD ' ' A' ' 90' ' ' MET . 15.5 m -133.64 149.15 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.443 HG21 ' CG1' ' A' ' 61' ' ' VAL . 2.3 m -128.56 140.63 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -86.03 145.42 27.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.4 tp -97.23 129.86 44.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.41 ' N ' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -115.8 151.61 34.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.001 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -85.39 174.78 5.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.2 Cg_endo -74.98 155.01 42.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 142.03 27.16 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.501 ' CG ' HG23 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -108.67 130.2 55.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.35 99.73 2.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mt -90.21 150.04 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 0.795 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 110.62 10.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.629 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CE1' ' HE3' ' A' ' 90' ' ' MET . 27.8 p90 -157.14 171.01 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.23 119.9 39.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.465 HG11 ' N ' ' A' ' 24' ' ' GLU . 58.4 t -58.64 145.34 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.465 ' N ' HG11 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -119.6 115.17 23.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.36 47.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.99 -42.47 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 111.052 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -151.13 97.58 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.2 mt -73.65 -24.59 60.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.34 -1.9 63.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -151.48 176.84 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -145.03 177.3 8.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.536 ' N ' ' OG1' ' A' ' 31' ' ' THR . 22.7 mt -133.21 128.68 36.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.584 ' HG3' ' CE1' ' A' ' 41' ' ' HIS . 0.7 OUTLIER -87.09 160.79 18.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.52 110.01 2.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 175.82 -165.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.49 ' HA ' ' N ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -168.47 127.94 1.0 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.0 128.09 15.72 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.986 0.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.49 ' N ' ' HA ' ' A' ' 36' ' ' THR . 14.7 m -40.63 136.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 62.9 mt-30 -106.42 146.32 30.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.9 t -82.18 136.97 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.584 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 6.5 m-70 -126.57 70.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.562 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -38.41 133.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.459 HD13 ' CG2' ' A' ' 31' ' ' THR . 13.6 mt -107.91 -26.53 10.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.95 130.7 24.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -7.52 19.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -125.52 58.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.613 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.8 p -113.83 153.3 29.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.252 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -48.01 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -40.48 -62.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -52.73 -47.54 67.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.01 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.9 -17.76 62.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 49' ' ' ALA . . . -71.97 -57.79 4.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.4 44.47 0.03 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.56 166.57 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 0.728 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -129.39 -171.74 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.81 135.74 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 88.38 14.01 62.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -60.87 125.3 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 109.272 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.602 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 60.6 m-85 -98.94 98.36 9.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 68' ' ' CYS . 36.0 mt -56.1 133.75 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.4 m -116.44 -37.68 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 40.0 m -161.05 156.95 25.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.9 mt -132.54 112.23 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 74.38 -56.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.7 36.59 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 62' ' ' SER . 57.1 t -125.55 153.67 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.367 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.0 124.08 28.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 60' ' ' ILE . 95.3 m -136.09 53.42 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 108.286 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -106.91 -36.5 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 71' ' ' LEU . 4.7 m95 -103.85 -33.65 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.052 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' TRP . 16.7 mt -39.5 149.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.5 p -90.41 -158.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 12.6 t -74.71 -51.57 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 t -55.8 -58.22 8.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.44 -55.28 3.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' LEU . 53.4 t -63.76 -61.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -39.65 -45.9 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -65.44 -44.07 88.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.463 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -63.02 -23.8 67.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mt -86.56 -47.5 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 84' ' ' GLY . 19.9 mttt -56.91 -49.31 75.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.6 t -44.06 -37.81 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.477 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 25.0 m-85 -95.5 40.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -71.43 126.84 13.34 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.5 21.53 77.6 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -131.73 123.06 26.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 0.731 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.44 123.48 17.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 6.2 m -124.68 171.83 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -115.68 100.86 8.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.507 ' HE3' ' CE1' ' A' ' 21' ' ' PHE . 34.2 ttp -92.16 136.89 32.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.33 128.57 56.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' CG ' ' A' ' 17' ' ' ARG . 34.3 m -133.77 154.53 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.81 163.55 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -104.88 165.68 10.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.6 tp -114.19 126.7 55.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.543 ' CZ2' HD12 ' A' ' 95' ' ' LEU . 61.7 m95 -118.99 150.3 40.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -80.89 173.31 7.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.993 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.97 147.85 34.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.8 11.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' CG ' HG22 ' A' ' 92' ' ' VAL . 9.5 ptp180 -91.44 160.97 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.02 114.39 4.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.426 1.079 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.427 ' CG2' ' HB1' ' A' ' 52' ' ' ALA . 3.1 mt -109.02 154.6 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.555 0.797 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -139.82 110.3 6.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -157.41 174.53 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -109.57 128.23 55.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 40.8 t -66.38 165.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.482 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.4 mm-40 -131.05 84.69 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.43 59.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -170.92 -39.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -157.34 107.49 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.24 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 99.6 mt -95.25 146.3 24.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -90.54 19.87 41.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -166.75 176.1 7.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 0.795 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -143.88 177.01 8.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.533 ' N ' ' OG1' ' A' ' 31' ' ' THR . 49.4 mt -116.21 123.12 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -121.27 156.96 31.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.9 -165.35 30.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -101.86 -72.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.553 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.7 t -174.61 140.79 0.72 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 133.49 31.67 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.055 -2.477 . . . . 0.0 110.942 0.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.452 ' N ' ' HA ' ' A' ' 36' ' ' THR . 19.6 m -55.11 152.9 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.46 ' NE2' ' CE2' ' A' ' 59' ' ' TYR . 2.6 mt-30 -106.65 -169.98 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 50.0 t -123.04 103.55 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -96.35 67.14 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.627 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -41.57 137.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -111.82 -35.59 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.428 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 2.8 m-20 -113.34 128.05 26.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.79 11.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -136.68 64.07 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.544 ' O ' ' C ' ' A' ' 48' ' ' SER . 5.4 p -120.95 141.95 50.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.544 ' C ' ' O ' ' A' ' 47' ' ' CYS . 0.4 OUTLIER -28.0 -64.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' SER . . . -38.36 -56.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 47' ' ' CYS . 9.5 t -63.62 -47.42 81.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -53.96 -25.13 19.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB1' ' CG2' ' A' ' 19' ' ' ILE . . . -72.48 -58.5 3.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.81 44.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -109.43 163.97 12.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -141.44 172.98 11.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.97 172.91 9.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 59.38 19.63 47.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -89.15 130.33 35.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.46 ' CE2' ' NE2' ' A' ' 39' ' ' GLN . 14.2 m-85 -105.58 115.34 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.65 127.65 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.461 ' CG1' HG23 ' A' ' 93' ' ' VAL . 29.7 m -109.6 -39.48 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 71.0 m -154.21 160.26 41.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.3 mt -138.23 114.07 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 75.35 -57.12 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.64 37.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 62' ' ' SER . 62.9 t -124.14 162.89 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.424 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -90.85 114.72 27.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 m -126.87 49.94 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 108.253 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.74 -8.8 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -132.55 10.68 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.0 mt -87.24 155.04 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.9 p -86.94 -168.64 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.432 ' CG2' HG11 ' A' ' 38' ' ' VAL . 4.7 t -75.98 -27.34 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -79.43 -53.85 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -44.88 -63.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 79' ' ' LEU . 71.8 t -51.45 -54.23 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 mmt -46.85 -29.26 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -33.42 22.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -71.81 -22.94 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.9 mt -88.72 -49.86 6.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' GLY . 18.9 mttm -54.83 -48.26 73.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -45.96 -42.13 12.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.546 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 24.8 m-85 -92.21 35.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -62.05 136.28 45.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 53.64 27.93 36.37 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -128.99 121.02 27.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.56 119.61 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 5.2 m -128.5 174.6 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.81 100.44 7.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.427 ' SD ' ' CG1' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -92.11 140.61 29.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -113.96 138.54 50.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.484 HG22 ' CG ' ' A' ' 17' ' ' ARG . 15.6 m -135.86 155.45 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.461 HG23 ' CG1' ' A' ' 61' ' ' VAL . 3.2 m -135.64 159.86 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.59 133.39 46.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.047 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.543 HD12 ' CZ2' ' A' ' 13' ' ' TRP . 20.4 tp -89.62 114.18 25.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CH2' ' HG ' ' A' ' 95' ' ' LEU . 40.4 m95 -120.87 155.78 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.536 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -86.57 179.94 1.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.05 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.5 Cg_endo -75.0 148.86 35.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 149.71 37.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.5 ' CG ' HG23 ' A' ' 92' ' ' VAL . 1.3 ptp85 -109.05 125.59 52.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.358 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.4 103.48 1.84 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 mt -96.08 148.75 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -131.75 110.39 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.41 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 39.6 p90 -157.31 172.66 18.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.45 120.75 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.466 HG11 ' CD2' ' A' ' 28' ' ' LEU . 54.1 t -59.98 148.88 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.46 ' N ' HG13 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -121.64 115.07 22.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.466 ' CG ' ' HA3' ' A' ' 84' ' ' GLY . 9.6 mt-10 -79.46 52.14 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.29 -38.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.69 92.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 71.1 mt -73.23 -38.36 66.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.65 6.5 59.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 28' ' ' LEU . 5.5 p90 -167.12 161.32 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -128.64 177.44 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.542 ' N ' ' OG1' ' A' ' 31' ' ' THR . 15.2 mt -125.71 143.14 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.502 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 1.9 mmt180 -96.41 159.85 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -72.27 112.23 3.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.516 ' C ' ' CG2' ' A' ' 36' ' ' THR . 1.4 m120 158.85 -177.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.516 ' CG2' ' C ' ' A' ' 35' ' ' ASN . 1.5 p -154.43 129.04 4.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.02 135.24 39.6 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.006 0.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 15.9 m -52.75 141.62 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.528 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 38.2 mt-30 -91.65 -175.28 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.3 t -123.76 121.14 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' PHE . 12.1 t60 -110.99 66.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.5 ' CZ ' ' HA ' ' A' ' 50' ' ' SER . 0.5 OUTLIER -36.62 142.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.7 mt -117.52 -39.46 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.374 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.43 115.18 42.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.37 7.83 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.429 1.752 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -132.67 44.71 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.4 172.66 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 108.324 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . 47.4 m -53.11 -67.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -40.16 -66.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . 1.9 t -44.5 -58.22 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 mt -51.75 -42.96 62.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 49' ' ' ALA . . . -42.91 -67.63 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.95 44.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . . . -105.79 177.53 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.54 177.03 8.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -88.97 120.76 30.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 110.08 -12.66 31.6 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 57' ' ' GLY . 74.2 m-20 -39.73 137.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.557 ' CE2' HD11 ' A' ' 95' ' ' LEU . 21.9 m-85 -111.08 98.88 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.416 ' CD1' HD22 ' A' ' 32' ' ' LEU . 84.5 mt -49.8 117.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.7 p -107.23 -26.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 73.8 m -167.18 161.36 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.9 mt -144.91 113.97 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 69.94 6.57 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.95 4.82 33.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.435 ' CG1' HD22 ' A' ' 79' ' ' LEU . 85.3 t -85.52 152.04 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.78 114.95 19.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 60' ' ' ILE . 64.7 m -131.71 56.57 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 -29.83 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -107.58 -34.09 7.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.5 mt -41.17 145.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 50.8 p -90.35 -172.42 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 9.8 t -61.55 -45.99 97.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.2 p -61.14 -63.64 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -40.0 -62.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 110.267 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.466 HG13 ' CD1' ' A' ' 32' ' ' LEU . 53.6 t -51.03 -61.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.476 ' HE2' ' CD1' ' A' ' 32' ' ' LEU . 4.1 mmt -39.43 -50.92 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -60.72 -43.44 97.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -61.16 -28.73 69.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.403 ' CD2' HG21 ' A' ' 23' ' ' VAL . 6.2 mt -84.33 -47.15 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' GLY . 8.4 mttt -54.44 -48.56 71.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.3 t -44.99 -37.33 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.439 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 19.6 m-85 -94.87 35.6 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.466 ' HA3' ' CG ' ' A' ' 25' ' ' GLU . . . -68.6 121.42 12.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.12 21.92 66.7 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -136.31 138.43 41.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.11 128.83 36.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.439 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 10.9 m -131.41 165.46 31.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.0 102.94 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.9 ttp -92.09 139.45 30.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.45 126.95 50.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.5 HG23 ' CG ' ' A' ' 17' ' ' ARG . 33.6 m -133.27 141.28 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.8 m -115.24 151.03 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 t -85.58 165.72 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.575 ' HG ' ' CH2' ' A' ' 13' ' ' TRP . 0.8 OUTLIER -114.37 125.54 53.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.426 ' CD1' ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.561 ' CZ2' HD12 ' A' ' 95' ' ' LEU . 56.1 m95 -122.2 150.06 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -83.25 178.49 2.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.95 147.79 34.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 133.15 16.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.48 ' CG ' HG21 ' A' ' 92' ' ' VAL . 13.0 ptp180 -95.68 150.7 20.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.95 109.11 3.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mt -99.49 151.46 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.85 110.57 7.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.611 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.558 ' CE1' ' HE1' ' A' ' 90' ' ' MET . 25.2 p90 -156.97 173.23 17.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.2 106.94 15.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 24' ' ' GLU . 47.1 t -41.37 156.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 23' ' ' VAL . 1.1 mm-40 -117.96 98.65 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.39 54.18 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.08 -37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.4 80.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.5 mt -54.17 -42.04 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.09 3.75 69.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -159.32 174.17 15.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.31 178.72 6.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.448 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.533 ' N ' ' OG1' ' A' ' 31' ' ' THR . 88.9 mt -124.55 112.37 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.69 166.51 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.66 -177.36 53.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.91 -71.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.527 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.1 t -173.51 138.49 0.77 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.02 132.06 26.32 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.991 0.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.467 ' N ' ' HA ' ' A' ' 36' ' ' THR . 24.3 m -51.09 154.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -101.24 -178.74 3.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -122.42 99.66 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -95.23 104.51 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.566 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -80.58 110.24 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 31' ' ' THR . 1.3 mm? -85.15 -34.37 22.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -119.83 136.39 24.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.72 5.95 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.511 1.796 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -95.26 29.39 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.627 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.6 p -62.49 -121.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -144.87 -49.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.91 -52.09 66.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 t -55.36 -36.49 66.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.48 -44.57 67.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 21' ' ' PHE . . . -45.16 -65.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 162.59 43.52 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.05 172.29 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -137.58 -179.49 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.24 156.81 27.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.514 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 71.17 20.14 77.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -85.6 137.18 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 0.739 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.514 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 18.0 m-85 -108.21 121.9 45.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.33 130.1 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.445 ' CG1' HG22 ' A' ' 93' ' ' VAL . 5.9 m -110.4 -36.75 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 58.4 m -152.63 157.37 40.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.994 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 64' ' ' GLN . 11.9 mt -134.86 99.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER 77.89 -3.26 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.267 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 136.42 -30.41 2.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 79' ' ' LEU . 4.5 p -50.36 178.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.69 100.89 8.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' VAL . 36.9 m -109.18 44.1 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.21 -24.46 13.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -110.23 -39.32 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.2 mt -40.75 159.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.6 p -100.34 -156.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.3 t -76.45 -49.52 24.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 t -53.64 -66.29 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.49 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' LEU . 70.6 t -41.09 -62.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.8 mmt -39.0 -49.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -41.58 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -60.76 -30.7 70.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mt -83.49 -46.03 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -57.3 -41.83 80.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.9 t -54.82 -44.88 74.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -88.68 37.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.21 126.81 10.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.35 27.12 73.18 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -133.29 124.62 27.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.267 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.29 111.84 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.7 m -118.13 -178.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -124.67 101.02 6.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.558 ' HE1' ' CE1' ' A' ' 21' ' ' PHE . 31.0 ttp -91.98 135.7 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -113.46 130.87 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.48 HG21 ' CG ' ' A' ' 17' ' ' ARG . 28.2 m -128.38 154.74 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.445 HG22 ' CG1' ' A' ' 61' ' ' VAL . 2.4 m -134.14 168.75 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.68 141.6 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.561 HD12 ' CZ2' ' A' ' 13' ' ' TRP . 16.5 tp -96.37 115.48 27.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.497 ' CZ3' ' HB2' ' A' ' 95' ' ' LEU . 76.2 m95 -111.25 156.25 21.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.548 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -94.17 -179.63 1.03 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.997 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.98 149.19 36.42 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.417 ' N ' HG11 ' A' ' 93' ' ' VAL . 18.4 Cg_endo -75.0 151.39 39.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' CD ' ' CG2' ' A' ' 92' ' ' VAL . 11.3 ptp180 -109.75 151.02 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.84 111.04 4.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 52' ' ' ALA . 5.7 mt -105.54 150.91 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -138.32 111.53 7.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.618 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.562 ' CE1' ' HE3' ' A' ' 90' ' ' MET . 46.5 p90 -153.91 171.69 18.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.472 ' CG2' ' HA2' ' A' ' 85' ' ' GLY . 1.6 m -111.07 107.33 16.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 41.8 t -43.2 163.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -136.41 110.52 8.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -83.66 49.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.32 -41.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -149.84 90.64 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.1 -25.55 67.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.82 5.56 69.86 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -160.89 163.49 31.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.516 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -129.93 176.89 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.516 ' N ' ' OG1' ' A' ' 31' ' ' THR . 50.2 mt -118.8 150.36 39.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.491 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 12.1 mmt180 -97.39 160.82 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -80.77 108.84 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.522 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 1.1 m120 154.05 -170.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.529 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -156.98 135.66 7.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.449 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.02 130.43 21.28 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.967 0.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.492 ' N ' ' HA ' ' A' ' 36' ' ' THR . 27.7 m -49.49 146.4 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.554 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 1.0 OUTLIER -101.77 -170.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -126.31 119.79 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -102.27 65.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.57 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 2.7 m-85 -38.4 126.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.5 mt -109.48 -29.14 8.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -130.33 119.12 18.43 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.47 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -134.61 51.85 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' SER . 6.9 p -104.22 -49.34 3.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.4 OUTLIER 158.41 -65.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.12 -50.0 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.468 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 5.5 t -58.96 -47.44 85.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.47 -24.97 67.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.462 ' HB2' ' CG2' ' A' ' 19' ' ' ILE . . . -62.48 -63.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.53 42.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.03 161.72 19.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 0.81 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 10.3 mttt -143.14 153.69 43.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -48.94 115.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 115.64 24.95 3.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 55.8 m-20 -84.75 115.55 22.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.554 ' CZ ' ' CD ' ' A' ' 39' ' ' GLN . 28.4 m-85 -93.81 101.04 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.1 mt -48.62 116.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 p -110.24 -39.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -145.66 170.13 17.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.934 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 62' ' ' SER . 14.7 mt -156.57 101.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 71.7 17.14 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.7 10.9 54.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.6 t -90.62 163.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -88.91 113.82 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.9 m -134.87 49.45 2.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 108.309 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.14 -27.3 12.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -109.39 -35.48 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.8 mt -40.71 147.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.1 p -96.3 -155.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 41.6 t -74.52 -51.74 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.7 t -49.86 -60.84 2.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.31 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 80' ' ' LEU . 75.9 t -41.97 -59.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 76' ' ' VAL . 4.0 mmt -37.22 -55.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -42.98 95.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.555 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -59.25 -24.24 63.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' VAL . 5.5 mt -90.47 -51.83 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -55.37 -48.27 74.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.5 t -45.14 -36.94 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 23.5 m-85 -97.03 40.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.08 124.2 35.33 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' ' 22' ' ' THR . . . 44.87 43.05 8.13 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -117.15 -3.66 11.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 60.65 111.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 5.6 m -134.68 172.26 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -116.84 105.42 12.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.562 ' HE3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 ttp -91.65 134.16 34.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -110.07 134.35 52.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.484 ' CG2' ' CD ' ' A' ' 17' ' ' ARG . 26.8 m -134.94 143.72 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 16' ' ' PRO . 1.4 m -118.27 163.08 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.31 146.09 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.497 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 24.4 tp -98.67 121.14 40.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.409 ' CE2' HD13 ' A' ' 95' ' ' LEU . 61.2 m95 -109.72 156.57 20.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.022 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -92.52 179.33 1.36 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.002 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.2 Cg_endo -75.0 149.33 36.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.422 ' N ' HG11 ' A' ' 93' ' ' VAL . 18.4 Cg_endo -74.95 138.12 22.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.465 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 1.0 OUTLIER -87.08 174.26 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.38 86.92 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 7.4 mt -89.62 149.41 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.3 110.72 9.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.59 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.548 ' CE1' ' HE1' ' A' ' 90' ' ' MET . 13.4 p90 -154.97 176.22 12.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.99 112.27 23.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.2 t -49.49 135.67 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.465 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 2.7 tt0 -108.43 113.44 26.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.26 13.69 6.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 27' ' ' ASP . . . -126.43 -4.51 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.465 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 1.8 t70 174.17 66.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 27' ' ' ASP . 15.9 mt -37.35 -37.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.18 -35.41 4.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.42 1.075 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -126.07 -171.9 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.51 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -144.08 176.33 9.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.372 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.51 ' N ' ' OG1' ' A' ' 31' ' ' THR . 21.1 mt -129.32 122.22 29.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.12 161.53 39.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.34 -164.65 25.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -97.03 -175.56 3.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.538 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.9 t -89.88 140.94 27.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -74.99 132.33 27.22 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.994 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.46 ' N ' ' HA ' ' A' ' 36' ' ' THR . 15.7 m -52.72 147.71 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.538 ' OE1' ' CE2' ' A' ' 59' ' ' TYR . 2.2 mt-30 -107.09 166.03 10.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.4 t -102.67 126.75 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -113.05 76.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.618 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 2.2 m-85 -39.97 124.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.87 -29.73 10.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.8 134.37 25.59 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -6.64 18.27 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -128.14 53.98 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.7 p -105.01 153.8 20.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 52' ' ' ALA . 16.7 m -45.25 -58.4 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.953 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.12 -60.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.465 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 38.9 t -53.62 -49.8 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.85 -18.76 46.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . . . -76.65 -58.14 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.9 50.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.54 153.54 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -130.36 139.94 50.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -41.42 125.45 2.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.1 24.73 5.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -87.51 122.53 31.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.538 ' CE2' ' OE1' ' A' ' 39' ' ' GLN . 7.4 m-85 -100.13 96.96 7.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.2 mt -48.65 96.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 59' ' ' TYR . 3.1 p -87.39 -28.31 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 36.3 m -168.77 155.24 6.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.7 mt -132.5 118.25 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 73.82 -57.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.38 37.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 62' ' ' SER . 64.6 t -124.64 146.34 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.86 115.73 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.7 m -122.3 45.49 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.97 -14.64 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -114.33 -43.68 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.429 ' CD1' HD12 ' A' ' 79' ' ' LEU . 19.3 mt -40.31 151.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.2 p -94.74 -158.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.437 ' CG2' HG11 ' A' ' 38' ' ' VAL . 33.5 t -73.59 -46.77 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.6 t -58.33 -61.68 2.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.75 -69.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' LEU . 72.0 t -44.33 -58.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -38.42 -43.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -73.57 -44.45 57.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.471 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -56.61 -25.86 54.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 mt -86.54 -46.65 9.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -53.73 -50.1 66.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 t -45.01 -47.56 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.482 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 28.8 m-85 -88.69 40.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.46 124.04 9.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.16 35.89 84.2 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -141.0 122.09 14.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.99 115.29 1.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 11.3 m -124.76 164.88 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.11 104.07 12.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.548 ' HE1' ' CE1' ' A' ' 21' ' ' PHE . 30.6 ttp -91.54 137.18 32.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -123.23 133.36 54.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.465 HG22 ' CZ ' ' A' ' 17' ' ' ARG . 29.4 m -136.24 146.09 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 16' ' ' PRO . 2.4 m -118.07 143.38 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.28 138.56 31.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 28.9 tp -90.49 131.17 36.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.413 ' CD1' ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -125.81 148.03 49.25 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -79.54 179.45 1.82 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.043 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 147.4 33.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.814 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 146.31 32.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.498 ' CG ' HG21 ' A' ' 92' ' ' VAL . 1.8 ptp180 -109.07 130.13 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.82 99.45 2.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.6 mt -89.15 150.77 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -134.12 110.31 9.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.577 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.573 ' CE1' ' HE1' ' A' ' 90' ' ' MET . 24.0 p90 -157.07 172.82 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.75 108.06 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.427 HG11 ' N ' ' A' ' 24' ' ' GLU . 55.6 t -42.92 154.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.427 ' N ' HG11 ' A' ' 23' ' ' VAL . 4.2 mm-40 -114.78 101.27 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -79.57 51.94 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.03 -39.88 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -151.42 77.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -46.27 -35.59 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.1 -36.13 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -121.42 179.2 4.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -136.52 176.72 8.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.521 ' N ' ' OG1' ' A' ' 31' ' ' THR . 89.1 mt -119.46 128.19 53.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.31 159.87 33.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.19 -167.63 33.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.84 -73.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.545 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 2.6 t -174.4 140.78 0.74 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -74.98 132.25 26.94 Favored 'Cis proline' 0 C--N 1.359 1.103 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.007 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.462 ' N ' ' HA ' ' A' ' 36' ' ' THR . 16.2 m -55.22 144.98 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.462 ' HG3' ' CD2' ' A' ' 59' ' ' TYR . 2.4 mt-30 -99.92 -174.11 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 58' ' ' ASP . 20.5 t -120.77 117.58 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -105.89 94.88 5.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.553 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 4.4 m-85 -63.37 118.83 8.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 mt -108.37 -24.1 11.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -130.08 133.67 25.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -28.07 9.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 47' ' ' CYS . 1.3 m80 -99.56 27.08 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 109.597 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.405 ' O ' ' O ' ' A' ' 46' ' ' HIS . 5.6 p -61.32 -119.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -149.99 -46.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.039 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.97 -48.51 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.55 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.8 t -59.71 -47.05 87.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.2 mt -57.88 -25.67 61.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.55 -59.65 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 148.3 44.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.35 -168.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.751 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 5.2 mtmm -144.46 -171.34 3.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -92.83 113.52 25.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.589 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 116.0 4.1 19.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.423 ' HB2' ' CG2' ' A' ' 40' ' ' VAL . 3.4 m-20 -50.85 113.01 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.271 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 88.0 m-85 -88.82 97.31 11.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 111.058 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.9 mt -50.7 95.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' TYR . 2.9 p -87.61 -27.93 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 68.2 m -161.35 167.95 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.1 mt -150.23 108.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.18 2.76 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.04 14.3 12.27 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.421 ' O ' ' CB ' ' A' ' 62' ' ' SER . 4.3 p -86.59 -178.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.32 94.99 5.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.4 m -108.47 38.44 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.262 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -96.56 -17.72 20.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -113.59 -40.41 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.453 ' CD1' HD11 ' A' ' 79' ' ' LEU . 14.6 mt -40.71 152.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.4 p -94.05 -144.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.9 t -88.86 -46.53 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -61.24 -52.65 63.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.46 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 79' ' ' LEU . 78.8 t -42.45 -57.35 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 76' ' ' VAL . 1.7 mmt -37.3 -48.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -45.45 72.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.455 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -53.54 -30.69 43.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' CD2' HG22 ' A' ' 23' ' ' VAL . 5.1 mt -83.23 -45.18 14.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -56.82 -49.93 73.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -47.69 -35.81 10.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.473 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 21.9 m-85 -100.12 39.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.02 128.5 11.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.32 28.76 73.93 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -134.01 122.95 23.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.17 116.31 3.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 16.4 m -125.56 165.76 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -110.63 100.76 9.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.573 ' HE1' ' CE1' ' A' ' 21' ' ' PHE . 32.1 ttp -91.65 131.44 37.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.72 136.57 50.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.498 HG21 ' CG ' ' A' ' 17' ' ' ARG . 27.3 m -138.48 140.89 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -118.17 143.34 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.61 137.13 33.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -73.34 104.66 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.441 ' CZ2' ' HG ' ' A' ' 95' ' ' LEU . 39.9 m95 -113.22 128.25 56.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 107.993 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.552 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.8 OUTLIER -64.1 -178.75 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -75.02 147.27 33.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 141.72 27.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.523 1.801 . . . . 0.0 111.038 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.474 ' CD ' ' CG2' ' A' ' 92' ' ' VAL . 11.8 ptp180 -91.7 155.85 18.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.15 105.95 2.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 9.1 mt -100.26 152.34 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.419 ' N ' HG21 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -140.52 111.27 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.586 ' CE1' ' HE1' ' A' ' 90' ' ' MET . 28.1 p90 -154.65 175.91 13.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -113.13 123.3 49.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.24 128.9 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mp0 -81.33 -3.74 53.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 24' ' ' GLU . 2.0 pt-20 30.46 56.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.8 45.57 0.3 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.452 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 0.6 OUTLIER 173.31 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.2 mt -79.76 137.23 36.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.423 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -90.6 35.07 3.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -170.35 172.77 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -136.55 177.36 7.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.53 ' N ' ' OG1' ' A' ' 31' ' ' THR . 79.1 mt -116.87 131.85 56.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -137.94 152.29 48.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.52 -177.04 38.83 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -85.9 -86.04 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.757 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.527 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.6 t -166.67 139.19 3.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.98 133.06 29.71 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.013 -0.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.444 ' N ' ' HA ' ' A' ' 36' ' ' THR . 28.8 m -56.67 153.65 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -100.68 175.3 5.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.9 t -116.21 105.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' PHE . 38.5 t60 -97.11 68.99 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.571 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' HIS . 1.2 m-85 -37.09 140.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.412 ' CD1' HG23 ' A' ' 31' ' ' THR . 40.3 mt -115.22 -41.18 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.91 123.8 28.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.09 9.33 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -126.6 55.16 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.423 ' CB ' ' HA3' ' A' ' 29' ' ' GLY . 25.4 p -122.05 159.7 26.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 108.353 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -45.74 -63.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.96 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -39.6 -66.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 t -51.63 -50.37 60.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.958 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.4 mt -57.16 -21.71 34.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 49' ' ' ALA . . . -67.91 -52.46 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.28 42.99 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.469 ' O ' ' CG ' ' A' ' 55' ' ' LYS . . . -96.75 -165.46 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.29 156.35 16.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.24 120.48 14.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.613 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 115.11 1.69 22.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.444 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 90.8 m-20 -61.9 130.87 47.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.613 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 54.1 m-85 -104.82 97.17 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.444 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 26.6 mt -48.3 99.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.0 p -88.83 -43.32 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 3.0 m -152.75 165.0 36.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.3 mt -143.89 114.1 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 71.66 5.61 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.22 12.68 24.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.475 ' CG1' HD21 ' A' ' 79' ' ' LEU . 23.7 t -103.41 134.0 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.34 122.89 15.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.4 m -127.38 5.13 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 108.338 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -82.05 -9.76 59.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -108.71 -34.49 6.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 108.019 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.62 165.04 3.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.5 p -97.17 -146.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 32' ' ' LEU . 39.5 t -90.31 -35.26 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.68 -57.89 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -43.28 -52.87 5.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' LEU . 79.2 t -58.71 -57.23 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.5 mmt -41.53 -37.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.44 -43.33 56.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -61.31 -26.36 67.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.8 mt -84.5 -45.37 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -62.05 -47.03 86.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -47.04 -31.72 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 19.5 m-85 -100.02 40.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.44 ' CA ' ' HB3' ' A' ' 25' ' ' GLU . . . -62.82 117.74 12.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.38 44.8 58.74 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' GLU . 32.8 mt-10 -122.54 -4.26 8.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 86' ' ' GLU . 3.7 tt0 58.51 116.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.496 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 2.6 m -135.69 178.75 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 19' ' ' ILE . 3.3 mt-10 -121.67 107.25 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.237 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.586 ' HE1' ' CE1' ' A' ' 21' ' ' PHE . 8.0 ttp -91.38 131.05 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.35 135.62 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.474 ' CG2' ' CD ' ' A' ' 17' ' ' ARG . 30.1 m -138.24 144.05 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.27 140.77 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.11 135.06 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.586 HD13 ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -73.21 112.65 9.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CH2' ' HG ' ' A' ' 95' ' ' LEU . 39.8 m95 -123.92 142.54 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.503 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -74.52 177.98 1.94 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.503 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.94 148.46 35.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.7 35.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.493 ' CG ' HG21 ' A' ' 92' ' ' VAL . 1.6 ptp85 -112.59 130.84 55.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.21 103.48 2.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 20' ' ' HIS . 9.7 mt -92.29 151.09 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.407 ' N ' HG23 ' A' ' 19' ' ' ILE . 1.8 p-80 -135.02 110.37 9.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.416 ' CE1' ' HE1' ' A' ' 90' ' ' MET . 34.0 p90 -157.07 176.5 12.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -116.78 107.99 15.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.47 HG11 ' N ' ' A' ' 24' ' ' GLU . 66.5 t -42.19 145.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.47 ' N ' HG11 ' A' ' 23' ' ' VAL . 1.6 mt-10 -105.5 96.16 6.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.76 53.87 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.3 -37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -149.52 79.06 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.8 mt -54.04 -38.81 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 86.1 3.21 85.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -162.4 160.72 26.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -124.39 176.77 6.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.521 ' N ' ' OG1' ' A' ' 31' ' ' THR . 83.0 mt -118.77 136.85 53.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.485 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 27.0 mtp85 -86.85 152.68 22.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.272 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -73.29 112.86 4.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 1.3 m120 153.3 -176.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.526 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.9 p -153.55 132.79 7.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -74.97 130.65 21.82 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.006 -0.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 29.0 m -47.13 160.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 57' ' ' GLY . 29.2 mt-30 -117.1 164.09 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.5 t -101.1 117.86 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -103.7 63.85 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -39.55 133.13 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.6 mt -111.28 -35.34 5.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.21 123.08 24.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.06 8.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -132.34 40.16 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 48' ' ' SER . 11.9 p -90.09 -48.56 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.0 OUTLIER 158.32 -67.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.41 -45.53 2.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -45.63 91.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' SER . 1.3 mt -66.26 -28.97 69.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -63.07 -60.71 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.83 43.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.65 171.75 8.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.261 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -139.31 -178.04 5.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -83.43 148.02 27.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.584 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 79.46 -1.16 78.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -51.96 134.12 32.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 20.0 m-85 -105.36 99.63 9.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' CYS . 2.7 mt -60.73 131.56 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 68' ' ' CYS . 4.1 m -112.08 -37.55 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.6 m -149.97 155.46 40.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.409 ' O ' HG11 ' A' ' 66' ' ' VAL . 50.1 mt -133.08 99.54 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER 77.25 -1.85 2.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.71 -29.48 3.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 79' ' ' LEU . 4.4 p -50.37 177.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.55 101.01 8.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' VAL . 62.9 m -113.29 54.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.03 -27.76 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.413 ' O ' ' C ' ' A' ' 71' ' ' LEU . 39.8 m95 -112.6 -36.41 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 70' ' ' TRP . 25.2 mt -39.78 152.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.5 p -91.83 -159.93 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 6.7 t -74.34 -48.17 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 t -55.57 -64.06 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.11 -58.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.1 t -56.65 -51.25 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.5 mmt -49.35 -46.52 47.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -39.01 70.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -61.5 -34.41 75.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mt -83.45 -46.7 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -52.12 -52.43 51.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.2 t -45.86 -39.7 8.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.98 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -88.75 34.57 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -67.84 125.28 22.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.76 25.34 75.21 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -130.55 123.66 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.01 124.68 21.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 m -130.88 179.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -123.36 101.19 7.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.416 ' HE1' ' CE1' ' A' ' 21' ' ' PHE . 30.4 ttp -91.96 138.62 31.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.29 128.31 54.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.493 HG21 ' CG ' ' A' ' 17' ' ' ARG . 16.9 m -128.5 148.91 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.92 160.4 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.06 148.61 24.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.559 ' HG ' ' CH2' ' A' ' 13' ' ' TRP . 0.7 OUTLIER -97.74 112.8 24.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 mm? . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -167.46 168.8 12.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.62 -58.14 1.7 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.968 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.08 -178.24 32.71 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -165.63 142.7 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 0.727 . . . . 0.0 110.053 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.56 156.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.986 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.7 75.59 1.96 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -74.71 113.31 11.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.47 107.23 4.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.12 150.45 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.94 160.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 126.26 19.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.443 ' CZ2' HD11 ' A' ' 95' ' ' LEU . 36.4 m95 -106.05 149.65 26.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.015 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.488 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -76.81 177.31 2.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.016 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.96 150.25 38.07 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 132.94 15.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -88.62 167.67 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.46 102.9 0.99 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.416 HD11 ' CB ' ' A' ' 54' ' ' ALA . 7.4 mt -96.89 154.16 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.39 110.45 6.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -157.13 177.41 11.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -118.25 108.06 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 24' ' ' GLU . 38.5 t -40.65 159.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.442 ' N ' HG13 ' A' ' 23' ' ' VAL . 6.6 mm-40 -127.9 105.22 8.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.86 53.94 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.46 -40.96 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -153.09 89.19 1.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 0.736 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.2 mt -64.67 -28.65 69.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.413 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 82.54 -2.54 85.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -149.17 171.73 15.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 0.786 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -135.49 176.69 8.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.521 ' N ' ' OG1' ' A' ' 31' ' ' THR . 57.4 mt -125.08 119.56 28.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -117.27 165.45 13.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.64 -161.87 31.26 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.4 OUTLIER -109.98 -69.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.552 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.1 t -174.96 140.4 0.65 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -74.98 131.94 25.89 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.995 -0.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.473 ' N ' ' HA ' ' A' ' 36' ' ' THR . 20.7 m -50.55 150.69 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.595 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 20.4 mt-30 -115.43 167.71 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.9 t -100.75 113.6 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -103.56 65.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.605 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 3.8 m-85 -40.35 123.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.6 mt -107.14 -28.53 9.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.07 134.13 25.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -31.29 6.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -93.56 26.36 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.589 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 7.9 p -63.2 -123.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.61 -58.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.94 -49.36 50.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.534 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.8 t -58.78 -52.01 67.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 47' ' ' CYS . 29.4 mt -53.44 -29.46 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.42 -58.86 5.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.248 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.26 44.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.041 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' CB ' HD11 ' A' ' 19' ' ' ILE . . . -111.29 -172.8 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.781 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -144.31 -171.59 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.62 163.21 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.456 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 57.64 15.93 20.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -68.49 120.45 14.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 0.737 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.595 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 71.4 m-85 -93.34 107.3 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.7 mt -63.77 135.97 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.4 ' CG1' HG22 ' A' ' 93' ' ' VAL . 5.3 m -113.5 -36.18 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 34.8 m -154.58 157.83 38.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 92.5 mt -136.31 102.4 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 74.61 8.12 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.25 -21.87 9.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 62' ' ' SER . 75.3 t -63.82 154.9 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.75 120.34 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.7 m -133.38 53.09 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 108.32 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.45 -32.38 6.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -102.24 -35.85 8.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 107.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.2 mt -42.32 154.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.5 p -98.05 -147.28 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.47 ' CG2' HG11 ' A' ' 38' ' ' VAL . 50.5 t -85.4 -48.93 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 t -55.77 -53.91 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.78 -68.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 79' ' ' LEU . 56.0 t -44.45 -59.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.4 mmt -39.03 -45.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -72.61 -41.91 65.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.52 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -60.75 -26.17 67.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 mt -87.18 -46.9 9.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -54.34 -50.49 67.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.5 t -45.12 -45.02 10.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.52 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 26.9 m-85 -88.95 44.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.48 129.36 9.9 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.34 30.02 75.9 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -135.31 123.84 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.78 110.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 13.3 m -115.15 171.7 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -119.11 103.67 9.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 27.1 ttp -92.1 138.04 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -119.71 128.73 54.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.6 m -128.39 154.61 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.4 HG22 ' CG1' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -130.69 143.26 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -85.33 144.12 28.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.443 HD11 ' CZ2' ' A' ' 13' ' ' TRP . 35.2 tp -99.07 128.24 45.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.58 127.53 56.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -166.07 152.46 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -48.92 165.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.1 t -155.46 156.93 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.9 146.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.4 p -171.3 151.94 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.89 146.01 46.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.434 ' CD2' ' H ' ' A' ' 104' ' ' ASN . 4.1 t60 -145.0 172.77 12.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.613 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.434 ' H ' ' CD2' ' A' ' 103' ' ' HIS . 19.3 m-20 -79.52 159.24 26.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 173.86 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.0 p -126.17 161.04 28.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.962 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -106.69 148.33 16.39 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.482 1.113 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -176.46 2.89 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.3 p -121.61 164.66 16.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.3 p -99.89 166.49 11.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.924 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 p -140.32 117.91 11.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 0.725 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 p -169.48 154.22 5.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.17 175.18 30.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -152.65 160.69 43.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.23 114.78 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.46 103.72 2.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.76 135.73 36.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.68 171.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m 61.33 156.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -48.68 144.89 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -90.27 136.39 33.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.566 ' CH2' HD13 ' A' ' 95' ' ' LEU . 35.5 m95 -132.42 136.18 46.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 107.964 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -66.03 176.97 0.83 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.02 147.0 33.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 137.15 21.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.482 ' CG ' HG23 ' A' ' 92' ' ' VAL . 9.7 ptp180 -102.25 151.28 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.53 109.21 3.8 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.1 mt -100.51 152.73 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.76 111.16 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.637 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.581 ' CE1' ' HE1' ' A' ' 90' ' ' MET . 33.8 p90 -156.66 174.9 14.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -115.91 112.66 22.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 34.6 t -43.52 164.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.487 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.5 mt-10 -132.65 97.64 4.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.11 54.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.84 -38.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.086 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -156.09 89.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.759 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.3 mt -66.58 -38.23 86.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.99 0.53 68.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -153.47 173.41 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 0.755 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.522 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -134.91 176.5 8.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.522 ' N ' ' OG1' ' A' ' 31' ' ' THR . 84.4 mt -119.73 114.04 21.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 mtt-85 -107.86 166.67 10.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.28 -174.08 54.43 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -95.96 -67.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.548 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.2 t -177.78 139.21 0.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.04 131.9 25.77 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.958 -2.517 . . . . 0.0 110.976 0.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.481 ' N ' ' HA ' ' A' ' 36' ' ' THR . 31.7 m -50.1 170.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.53 ' NE2' ' CE2' ' A' ' 59' ' ' TYR . 5.0 mt-30 -125.97 175.21 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.5 t -111.18 101.77 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -94.69 72.6 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.621 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.417 ' CZ ' ' HA ' ' A' ' 50' ' ' SER . 3.6 m-85 -49.33 131.11 20.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.2 mt -110.03 -32.26 7.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 0.2 OUTLIER -117.05 127.11 26.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -8.94 20.5 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.534 1.807 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -131.87 65.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' A' ' 44' ' ' ASP . 1.2 p -108.59 -105.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -143.75 -67.45 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.59 -51.77 6.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.417 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -55.55 -58.01 9.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.5 mt -46.75 -48.5 20.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.442 ' CB ' ' HB3' ' A' ' 21' ' ' PHE . . . -40.49 -67.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.47 42.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -114.13 172.78 6.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -149.96 160.36 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -59.13 138.15 57.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.465 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 94.19 18.75 35.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 77.2 m-20 -85.52 127.1 34.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.53 ' CE2' ' NE2' ' A' ' 39' ' ' GLN . 15.0 m-85 -103.14 102.82 12.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.59 127.3 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.0 m -113.99 -36.54 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 1.3 p -142.04 169.2 18.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 62' ' ' SER . 18.2 mt -156.1 95.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 71.22 33.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.46 16.29 71.59 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.47 ' CG1' HD23 ' A' ' 79' ' ' LEU . 97.6 t -100.75 160.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -87.06 118.93 26.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 90.0 m -138.89 50.43 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 108.319 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.66 -34.32 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -99.44 -32.85 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.401 ' CD1' HD12 ' A' ' 79' ' ' LEU . 23.9 mt -44.18 154.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 48.0 p -94.59 -155.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.375 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.41 ' CG2' HG11 ' A' ' 38' ' ' VAL . 76.0 t -78.62 -46.62 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 t -59.85 -53.05 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.17 -69.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' LEU . 48.3 t -43.39 -58.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -39.94 -58.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -62.61 -33.32 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.47 HD23 ' CG1' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -67.83 -30.46 69.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 76' ' ' VAL . 3.2 mt -84.54 -45.16 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -55.8 -50.63 69.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 t -44.53 -45.19 9.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -89.22 37.83 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' A' ' 23' ' ' VAL . . . -70.92 125.97 13.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.17 31.39 69.15 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -139.48 121.68 15.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -56.67 119.91 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 18.0 m -126.15 164.41 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -110.37 98.63 7.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.581 ' HE1' ' CE1' ' A' ' 21' ' ' PHE . 22.6 ttp -93.45 132.92 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -108.93 131.63 54.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.482 HG23 ' CG ' ' A' ' 17' ' ' ARG . 23.9 m -126.26 155.46 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.18 161.79 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 m -103.76 142.23 34.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.566 HD13 ' CH2' ' A' ' 13' ' ' TRP . 0.5 OUTLIER -93.68 117.68 30.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -89.84 -165.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -155.55 158.05 37.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -67.44 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.014 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 63.4 m -40.45 151.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.86 167.75 20.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.81 127.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.95 -44.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.4 145.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.574 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.11 121.46 29.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.37 125.37 33.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.16 119.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -154.41 149.62 21.02 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.01 30.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.27 116.83 9.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.42 142.06 18.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.544 1.152 . . . . 0.0 110.964 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.8 p -159.22 105.81 1.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 0.745 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -100.04 98.84 9.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.63 -168.67 12.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.98 106.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -139.39 -58.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.038 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.81 139.37 6.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -40.3 124.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.966 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.5 170.44 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.81 118.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -49.06 161.15 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -105.59 105.72 15.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.568 ' CZ3' ' HG ' ' A' ' 95' ' ' LEU . 68.2 m95 -105.9 152.09 23.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.64 172.4 9.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.99 36.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 132.27 15.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.479 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 8.9 ptp180 -95.48 169.35 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.32 105.25 1.52 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.405 ' CG2' ' HB2' ' A' ' 52' ' ' ALA . 11.0 mt -100.24 151.47 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -137.48 110.74 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.567 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CE1' ' HE2' ' A' ' 90' ' ' MET . 32.9 p90 -156.87 172.36 18.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -111.4 127.03 55.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 25.1 t -68.37 164.26 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.478 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 3.7 mt-10 -128.95 87.83 2.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.24 60.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -172.8 -38.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -162.45 94.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.1 mt -71.37 146.0 49.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -87.45 12.71 62.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -160.98 153.91 21.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.515 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -113.8 176.76 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.515 ' N ' ' OG1' ' A' ' 31' ' ' THR . 11.0 mt -129.35 150.02 50.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -146.51 165.58 29.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.48 -169.86 38.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -101.35 -67.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.549 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.7 t -178.5 139.81 0.38 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 132.0 26.1 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.028 -2.488 . . . . 0.0 111.011 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' N ' ' HA ' ' A' ' 36' ' ' THR . 17.3 m -49.52 146.75 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.608 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 63.4 mt-30 -112.48 133.51 54.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -69.84 117.03 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -106.62 77.78 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.604 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.553 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 1.5 m-85 -39.11 120.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.537 ' C ' ' CD1' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -114.94 -34.5 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.72 132.46 23.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -90.55 36.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.578 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.47 ' O ' ' CD1' ' A' ' 51' ' ' LEU . 10.3 p -70.97 -125.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 108.335 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.5 p -138.88 -57.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.0 -40.5 44.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.553 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 7.0 t -67.62 -41.21 84.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.056 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD1' ' O ' ' A' ' 47' ' ' CYS . 29.1 mt -69.12 -17.79 63.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' HB2' ' CG2' ' A' ' 19' ' ' ILE . . . -80.75 -55.08 5.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.419 ' O ' ' NH1' ' A' ' 17' ' ' ARG . . . 145.47 45.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.94 165.39 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -122.54 -175.15 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.83 147.59 23.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.573 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 73.07 15.42 78.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -64.33 127.4 31.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.608 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 44.1 m-85 -99.12 107.48 19.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 68' ' ' CYS . 23.6 mt -60.43 129.29 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.3 m -113.33 -33.34 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.479 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 1.7 p -145.45 168.55 20.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.479 ' CG1' ' O ' ' A' ' 62' ' ' SER . 14.0 mt -155.68 94.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 70.4 33.88 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.31 27.39 48.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.7 t -112.03 162.83 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 109.354 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.99 118.88 29.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 60' ' ' ILE . 59.9 m -138.87 50.81 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.88 -34.37 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -101.56 -23.16 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 107.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.4 mt -54.25 158.11 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.9 p -103.0 -159.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.471 ' CG2' HG13 ' A' ' 38' ' ' VAL . 85.4 t -72.27 -52.09 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -59.39 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.87 -71.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' LEU . 48.6 t -40.84 -62.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.429 ' HE1' ' CD1' ' A' ' 32' ' ' LEU . 1.9 mmt -37.67 -56.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -63.05 -39.69 95.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.2 OUTLIER -60.45 -31.84 70.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 mt -83.72 -46.32 12.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' GLY . 6.5 mttm -51.65 -51.79 53.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.1 t -43.23 -43.21 4.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.47 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 21.4 m-85 -90.94 39.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -72.73 128.24 12.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.16 18.84 78.22 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -130.2 124.21 32.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.332 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -60.2 122.25 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 12.7 m -124.21 164.97 21.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.03 99.17 8.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.575 ' HE2' ' CE1' ' A' ' 21' ' ' PHE . 27.0 ttp -93.64 126.71 38.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 17' ' ' ARG . 5.5 mttt -105.17 133.9 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.476 HG22 ' CG ' ' A' ' 17' ' ' ARG . 27.2 m -129.79 153.8 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.7 m -129.68 141.72 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -86.97 143.81 27.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HG ' ' CZ3' ' A' ' 13' ' ' TRP . 1.6 mt -88.93 131.6 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.02 120.09 38.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.01 26.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.4 m -53.37 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 t -174.37 143.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.0 t -82.03 164.48 21.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 89.9 p -168.14 165.38 13.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.36 160.98 43.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.73 88.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.632 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -110.52 166.34 11.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -163.08 63.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 86.4 p -56.04 133.64 52.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.9 74.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.87 34.51 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.5 m 63.05 160.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.6 t -100.52 87.14 3.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.77 -58.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 0.742 . . . . 0.0 109.946 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.6 156.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.45 -68.77 0.55 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -109.41 -60.99 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t 64.16 154.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.09 132.09 5.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.92 -35.96 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.973 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 178.55 116.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.8 p -169.8 156.72 6.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -44.47 122.21 2.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -83.25 146.08 28.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.546 ' CH2' ' CD1' ' A' ' 95' ' ' LEU . 55.1 m95 -130.29 138.54 50.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -76.24 179.13 1.6 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 148.07 34.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 131.33 14.12 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.497 ' CG ' HG22 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -91.33 161.1 15.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.75 105.68 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.469 ' CD1' ' HD2' ' A' ' 17' ' ' ARG . 3.5 mt -99.75 151.68 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.49 111.13 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.588 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -156.82 176.98 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.13 113.41 24.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.498 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 24.7 t -47.37 165.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 2.5 mt-10 -129.27 81.81 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.21 61.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -175.95 -38.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -159.09 105.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.242 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.2 mt -94.05 145.02 24.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.57 26.71 14.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -171.22 165.95 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -132.96 176.92 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.53 ' N ' ' OG1' ' A' ' 31' ' ' THR . 33.6 mt -118.97 116.92 27.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -114.58 154.37 28.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.96 -162.85 25.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.434 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -107.32 -69.71 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.55 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -175.61 139.94 0.58 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.02 132.31 27.16 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.967 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.47 ' N ' ' HA ' ' A' ' 36' ' ' THR . 33.8 m -52.58 164.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 12.3 mt-30 -119.7 -174.03 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.62 108.88 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' PHE . 27.2 t60 -103.85 78.13 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 5.1 m-85 -37.14 137.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.8 mt -111.45 -31.05 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -132.73 140.67 38.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -38.82 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.77 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -92.35 30.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.58 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.44 ' SG ' ' CB ' ' A' ' 50' ' ' SER . 32.1 p -69.28 -139.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -117.96 -71.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' SER . . . -39.5 -58.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.562 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 8.5 t -47.29 -42.03 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.19 -36.87 84.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.45 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . . . -56.89 -61.95 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.77 43.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.55 152.75 29.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -115.86 -173.85 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.6 142.03 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.602 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 83.33 20.49 60.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -76.03 129.32 36.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 0.785 . . . . 0.0 109.356 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 27.6 m-85 -104.5 104.88 14.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 3.3 mt -57.84 130.31 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.462 ' CG1' HG22 ' A' ' 93' ' ' VAL . 15.3 m -111.64 -32.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 57.2 m -156.44 162.81 39.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.9 mt -146.04 104.09 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 70.51 29.29 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.36 -0.36 77.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 62' ' ' SER . 63.8 t -83.21 152.12 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.9 118.13 23.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 96.7 m -135.07 50.05 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.9 -32.53 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -104.3 -33.14 8.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 107.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 mt -42.95 148.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.7 p -88.92 -157.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.414 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 51.0 t -80.27 -41.1 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.5 t -64.66 -48.62 74.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.68 -65.24 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' LEU . 55.2 t -48.29 -52.84 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.0 mmt -47.05 -42.56 18.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -75.26 -24.79 57.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -78.47 -27.4 46.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 mt -87.05 -47.51 8.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -53.42 -50.88 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -46.13 -44.27 15.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.445 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 13.5 m-30 -88.97 38.15 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.33 128.24 15.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.42 27.03 73.49 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -133.27 123.29 25.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.294 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -59.03 116.38 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 10.6 m -122.3 174.2 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.74 98.88 6.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.407 ' SD ' ' CG1' ' A' ' 92' ' ' VAL . 0.6 OUTLIER -92.24 142.16 27.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -116.18 134.96 54.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.497 HG22 ' CG ' ' A' ' 17' ' ' ARG . 23.5 m -133.76 147.54 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.462 HG22 ' CG1' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -121.61 149.79 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -92.67 142.45 27.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.546 ' CD1' ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -96.54 128.45 43.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.5 -167.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.03 24.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.7 t 46.57 -151.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.3 t -123.13 152.74 40.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.51 148.69 52.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.8 104.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.958 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.8 102.41 10.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.965 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.21 155.02 11.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.639 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.46 -54.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.6 tttt 64.37 122.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.72 94.73 3.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -129.54 97.28 0.4 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -48.83 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.4 m 63.5 164.43 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 p -113.76 113.85 25.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -94.35 163.91 13.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.977 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.78 148.12 48.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.76 151.07 21.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -163.68 155.04 16.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 110.03 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.71 142.14 23.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.38 94.44 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.1 p -127.21 139.05 53.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.796 . . . . 0.0 109.972 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.25 103.12 14.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 11' ' ' LYS . 12.4 t -153.64 92.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 10' ' ' SER . 3.0 mttt 37.91 -156.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -123.74 128.59 49.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.689 ' CH2' ' CD1' ' A' ' 95' ' ' LEU . 37.5 m95 -129.1 128.78 44.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 108.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.523 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -60.93 179.07 0.24 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.01 147.61 34.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.542 1.812 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.12 22.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.53 ' CD ' ' CG2' ' A' ' 92' ' ' VAL . 10.3 ptm180 -99.01 161.25 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.32 112.46 3.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mt -103.19 153.72 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.258 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.21 110.47 6.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.474 ' CE1' ' HE2' ' A' ' 90' ' ' MET . 28.2 p90 -156.94 172.01 19.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -111.68 114.0 26.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 33.8 t -51.31 164.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.48 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 2.3 mt-10 -130.3 85.69 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.47 59.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -170.81 -39.92 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -157.94 102.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -85.33 146.23 27.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.94 24.36 26.84 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -170.83 168.08 7.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.527 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -133.44 176.71 8.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.527 ' N ' ' OG1' ' A' ' 31' ' ' THR . 73.5 mt -123.5 123.59 40.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.75 155.37 39.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.8 -164.81 20.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.15 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -103.3 -67.49 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.553 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER 178.8 141.16 0.28 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -75.0 132.54 27.92 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.033 -0.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.461 ' N ' ' HA ' ' A' ' 36' ' ' THR . 22.3 m -55.52 149.42 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.555 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 58.8 mt-30 -106.16 -174.15 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.8 t -123.13 109.98 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -99.88 71.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.641 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.499 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 3.3 m-85 -37.54 134.85 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.427 ' CD1' HG21 ' A' ' 31' ' ' THR . 58.5 mt -111.37 -39.03 4.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -116.0 137.01 23.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.241 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.28 3.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.417 ' O ' ' O ' ' A' ' 47' ' ' CYS . 24.4 m80 -98.36 30.66 3.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.596 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.417 ' O ' ' O ' ' A' ' 46' ' ' HIS . 5.0 p -61.4 -118.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -147.73 -46.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.07 -46.82 89.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.499 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.7 t -61.68 -44.41 97.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.019 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.6 mt -63.64 -19.7 65.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.55 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.484 ' O ' ' CZ ' ' A' ' 17' ' ' ARG . . . 154.99 44.08 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.59 150.9 39.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.797 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' OD2' ' A' ' 58' ' ' ASP . 13.0 mtmt -114.01 -171.54 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.04 148.37 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.539 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 70.92 22.36 78.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.424 ' OD2' ' N ' ' A' ' 55' ' ' LYS . 42.5 m-20 -72.29 123.09 22.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.569 ' CE2' HD12 ' A' ' 95' ' ' LEU . 49.1 m-85 -96.55 109.14 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.1 mt -62.65 128.52 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.6 m -110.37 -33.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.476 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -149.25 171.02 17.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.476 ' CG1' ' O ' ' A' ' 62' ' ' SER . 19.2 mt -155.66 100.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 71.2 24.09 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.33 29.2 22.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.458 ' CG1' HD23 ' A' ' 79' ' ' LEU . 78.7 t -113.74 156.05 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -76.33 117.85 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.7 m -140.46 46.33 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 108.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.31 -31.12 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -104.99 -32.41 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.008 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.9 mt -44.3 152.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 p -93.91 -162.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 39.3 t -72.49 -43.81 62.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.9 t -60.21 -57.76 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.36 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.446 HG11 ' CD1' ' A' ' 32' ' ' LEU . 74.7 t -42.29 -56.78 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.9 mmt -43.46 -39.35 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -77.3 -38.67 50.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.599 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -64.78 -24.33 67.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.5 mt -87.67 -46.98 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -54.7 -50.2 68.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.1 t -47.11 -30.28 2.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 17.9 m-85 -104.94 38.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.78 129.22 15.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.12 17.84 74.23 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -126.67 128.93 47.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.277 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -64.05 121.47 14.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 11.5 m -126.11 169.46 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -114.54 99.98 7.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.474 ' HE2' ' CE1' ' A' ' 21' ' ' PHE . 37.2 ttp -92.19 133.85 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -107.65 136.55 47.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.53 ' CG2' ' CD ' ' A' ' 17' ' ' ARG . 26.9 m -133.79 162.7 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.24 173.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -113.72 145.98 40.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.689 ' CD1' ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -89.78 119.76 30.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.08 121.1 44.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.51 155.42 43.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.86 -58.14 3.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.5 m 53.87 103.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.73 146.41 32.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 t -147.43 170.19 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.4 ttm -141.13 170.17 16.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -156.37 172.34 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.6 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.04 159.23 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -137.66 168.8 18.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.0 p -161.25 168.89 23.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.36 94.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -179.22 4.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 72.6 p -93.81 169.1 10.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.5 p -165.84 168.66 15.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.5 p -99.35 140.58 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 0.786 . . . . 0.0 109.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.71 114.42 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.38 -151.61 46.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t 44.29 79.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.753 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 m -78.8 105.09 9.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.24 -139.28 5.93 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.94 134.77 52.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.729 . . . . 0.0 109.972 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.36 156.17 44.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.5 p -72.43 145.09 47.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' CG ' ' HE1' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -76.58 141.89 40.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.17 159.21 15.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.401 ' HE1' ' CG ' ' A' ' 11' ' ' LYS . 33.5 m95 -134.4 136.64 43.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.019 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -74.77 179.12 1.43 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.95 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 149.16 36.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 129.65 12.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.478 ' CG ' HG22 ' A' ' 92' ' ' VAL . 13.5 ptp180 -92.07 151.64 20.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.39 106.57 3.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.421 HD13 ' CB ' ' A' ' 54' ' ' ALA . 7.5 mt -95.86 151.63 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -138.1 110.46 7.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.438 ' CE1' ' HE3' ' A' ' 90' ' ' MET . 34.0 p90 -157.0 177.04 11.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -118.14 109.04 15.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 40.5 t -42.91 164.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.468 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.2 mt-10 -133.87 103.86 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.5 52.48 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.33 -41.26 0.03 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -152.3 93.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.61 -34.78 70.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 84.74 -1.4 88.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -152.55 165.42 35.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 111.047 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -131.15 176.87 7.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.389 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.519 ' N ' ' OG1' ' A' ' 31' ' ' THR . 66.1 mt -120.09 119.56 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -115.36 167.28 11.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.03 178.77 51.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -88.42 -74.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.539 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -173.65 138.58 0.76 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.03 132.24 26.91 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.983 0.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.471 ' N ' ' HA ' ' A' ' 36' ' ' THR . 24.6 m -50.91 173.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -128.09 172.08 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.426 HG11 ' CE2' ' A' ' 42' ' ' PHE . 70.5 t -104.67 103.17 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -95.7 67.74 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.594 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CE2' HG11 ' A' ' 40' ' ' VAL . 8.9 m-85 -49.55 138.67 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -111.7 -42.1 3.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.06 142.14 24.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -20.05 17.35 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -127.4 61.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.63 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 48' ' ' SER . 12.3 p -91.71 -48.49 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER 159.77 -73.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -43.02 -51.78 5.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.3 -38.98 66.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' SER . 5.8 mt -70.52 -26.97 63.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.46 -59.38 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.82 43.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.421 ' CB ' HD13 ' A' ' 19' ' ' ILE . . . -120.38 178.75 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -154.72 -175.6 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.95 165.68 22.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.545 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 66.43 10.51 53.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -76.98 127.26 32.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 37.3 m-85 -100.07 114.66 28.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.0 mt -65.25 131.18 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' CG1' HG21 ' A' ' 93' ' ' VAL . 5.7 m -113.45 -38.41 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 48.1 m -160.1 161.23 33.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.4 mt -138.02 118.0 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.9 -57.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.91 37.82 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.122 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 62' ' ' SER . 75.3 t -126.38 157.58 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.582 0.813 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.78 123.62 28.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.9 m -136.68 48.87 2.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.32 -28.42 8.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -104.71 -34.01 8.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.029 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -43.87 151.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 p -91.13 -158.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.453 ' CG2' HG13 ' A' ' 38' ' ' VAL . 21.7 t -75.85 -45.26 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -61.65 -58.68 7.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.63 -65.21 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' LEU . 84.4 t -51.4 -60.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -38.3 -40.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -74.56 -46.26 40.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -59.29 -22.72 61.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.34 -46.57 9.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -56.82 -48.51 77.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.9 t -46.2 -45.85 17.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.461 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 25.7 m-85 -89.21 45.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.12 131.41 11.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.75 72.96 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -133.26 125.64 29.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.41 111.65 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 8.4 m -117.99 175.02 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -119.79 101.81 8.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.438 ' HE3' ' CE1' ' A' ' 21' ' ' PHE . 31.2 ttp -92.19 138.04 31.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -114.79 136.4 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.478 HG22 ' CG ' ' A' ' 17' ' ' ARG . 17.9 m -135.6 151.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.45 HG21 ' CG1' ' A' ' 61' ' ' VAL . 0.4 OUTLIER -133.34 142.11 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -89.19 140.97 28.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.9 tp -92.33 128.69 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.28 -162.83 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.93 164.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 p -87.06 172.36 10.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.9 m 63.35 135.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.7 p 176.41 155.75 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.043 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 m 60.14 162.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -162.64 -50.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 102' ' ' MET . 1.4 m-70 61.01 120.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.582 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -157.98 161.98 38.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -104.91 121.85 44.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.2 p -155.06 -174.97 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.24 95.55 0.24 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -49.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.4 t -112.09 109.07 18.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.1 m -62.63 -56.19 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -138.81 84.48 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 110.028 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -127.95 121.24 29.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.62 119.91 0.63 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.06 146.35 18.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 0.0 109.976 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -79.52 159.51 26.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.4 126.57 7.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.1 p -139.01 -45.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -134.1 179.31 6.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m 63.88 122.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -40.63 128.04 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.15 135.52 33.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.629 ' CH2' ' CD1' ' A' ' 95' ' ' LEU . 59.3 m95 -122.84 143.14 50.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.028 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -80.89 178.37 2.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.97 151.07 39.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 129.0 12.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.482 ' CG ' HG23 ' A' ' 92' ' ' VAL . 6.9 ptp180 -89.34 164.64 14.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -113.21 114.35 3.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.123 . . . . 0.0 111.049 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 7.4 mt -108.49 152.28 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.797 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.404 ' N ' HG22 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -136.34 110.79 8.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.605 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CE1' ' HE1' ' A' ' 90' ' ' MET . 25.3 p90 -156.72 171.08 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.37 105.54 13.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 24' ' ' GLU . 43.1 t -40.12 155.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' N ' HG12 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -117.71 103.45 10.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.38 51.39 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.356 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.1 -39.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 111.044 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -154.87 86.79 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 72.4 mt -61.47 -41.45 97.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.35 0.18 65.44 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -153.28 166.81 31.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -127.07 179.09 5.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.539 ' N ' ' OG1' ' A' ' 31' ' ' THR . 56.3 mt -119.63 118.61 31.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.03 163.43 15.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.87 171.78 47.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.62 -70.45 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 0.732 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.521 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -176.06 136.65 0.47 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.439 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.99 132.09 26.39 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.017 0.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.465 ' N ' ' HA ' ' A' ' 36' ' ' THR . 17.6 m -51.56 178.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -130.54 169.21 15.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -104.44 115.28 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -109.26 100.07 9.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.563 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -78.18 108.54 11.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -78.91 -32.1 45.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -126.73 138.14 31.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -17.4 19.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.032 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 47' ' ' CYS . 18.0 m80 -106.39 25.09 11.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.412 ' O ' ' O ' ' A' ' 46' ' ' HIS . 4.9 p -61.43 -118.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m -143.65 -63.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.37 -53.14 14.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 t -52.85 -46.95 68.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.049 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.9 mt -59.79 -44.0 94.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.89 -62.87 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.03 44.45 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.423 ' HB2' ' CD1' ' A' ' 19' ' ' ILE . . . -113.04 -171.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.764 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.46 -171.65 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -92.77 149.31 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 77.69 5.15 86.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -56.9 122.68 12.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 50.3 m-85 -95.87 107.81 20.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.0 mt -64.4 133.25 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.413 HG11 ' CG ' ' A' ' 69' ' ' LYS . 3.1 m -115.07 -36.7 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 20.6 m -150.46 162.84 39.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.4 mt -149.34 99.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 68.59 46.28 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.49 -0.82 68.23 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.502 ' O ' ' CB ' ' A' ' 62' ' ' SER . 48.8 t -85.58 164.76 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.769 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.91 121.34 41.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 57.2 m -134.11 28.91 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 108.302 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.413 ' CG ' HG11 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -96.64 -24.5 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -107.94 -33.07 7.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 107.955 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.428 ' CD1' ' CD1' ' A' ' 79' ' ' LEU . 18.6 mt -47.68 152.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.1 p -91.0 -144.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.367 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.4 t -88.25 -45.64 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -50.68 67.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.02 -67.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 79' ' ' LEU . 92.5 t -45.45 -56.32 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 76' ' ' VAL . 2.9 mmt -38.04 -49.33 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -44.41 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -57.53 -29.01 64.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -88.16 -47.94 8.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -53.78 -50.46 66.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -47.29 -44.18 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 22.6 m-85 -89.77 40.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.2 128.0 9.62 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.07 28.04 72.19 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -135.88 125.92 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -61.12 112.69 2.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 16.4 m -118.94 168.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -112.78 104.12 12.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.564 ' HE1' ' CE1' ' A' ' 21' ' ' PHE . 24.9 ttp -92.0 138.75 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -120.97 130.97 54.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.482 HG23 ' CG ' ' A' ' 17' ' ' ARG . 35.6 m -132.87 156.32 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.6 m -131.19 143.02 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 m -85.18 146.48 27.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.629 ' CD1' ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -98.35 118.37 34.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.55 -165.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.4 t0 178.07 158.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 100' ' ' SER . 0.1 OUTLIER -90.82 -62.32 1.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.6 t 41.81 28.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 110.397 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 98' ' ' SER . 3.6 m -108.05 103.05 12.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.6 p -135.37 161.36 35.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.0 mtm -121.1 153.04 37.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -170.88 115.06 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.579 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -71.86 164.81 25.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.73 122.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.9 p -137.57 157.42 46.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -156.38 81.76 0.16 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.469 1.106 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 148.89 35.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.9 t -78.37 140.62 38.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.37 170.33 4.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t -168.97 149.16 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 p -95.35 111.39 23.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.47 91.92 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.49 -59.3 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 0.753 . . . . 0.0 110.036 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -109.27 118.21 36.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.56 109.92 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.67 86.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.006 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.65 165.75 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t 62.77 167.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.002 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -46.29 133.08 9.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.92 121.43 31.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.57 ' CH2' ' CD1' ' A' ' 95' ' ' LEU . 37.1 m95 -103.19 139.49 38.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 108.0 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -71.73 179.8 0.91 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.053 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.04 149.77 37.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 138.63 23.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 23.0 mtp180 -90.91 165.4 13.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.11 99.69 0.93 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.576 1.173 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mt -96.81 151.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -139.86 110.71 6.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.436 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 39.6 p90 -156.97 175.96 13.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.2 118.44 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.447 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.464 HG22 ' CD2' ' A' ' 80' ' ' LEU . 77.4 t -53.53 146.65 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.458 ' N ' HG11 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -112.83 109.07 18.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.17 52.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.81 -40.13 0.03 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -156.81 88.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.423 HD21 ' CG1' ' A' ' 23' ' ' VAL . 66.5 mt -62.91 -27.65 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 86.86 -1.83 87.0 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -153.48 169.14 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.534 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -137.64 176.79 8.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.534 ' N ' ' OG1' ' A' ' 31' ' ' THR . 48.2 mt -120.75 137.64 54.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.54 159.99 40.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.65 -159.65 23.17 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.93 -72.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.774 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.541 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -174.85 138.75 0.62 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.364 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 132.44 27.56 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.981 0.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.469 ' N ' ' HA ' ' A' ' 36' ' ' THR . 26.8 m -49.97 159.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.54 ' NE2' ' CZ ' ' A' ' 59' ' ' TYR . 6.8 mt-30 -113.75 -179.78 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.6 t -119.2 108.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -99.8 85.64 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 1.9 m-85 -56.52 135.01 54.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 mt -115.38 -46.31 2.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -103.36 126.14 33.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.72 14.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -133.07 63.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.556 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.466 ' CB ' ' HA3' ' A' ' 29' ' ' GLY . 6.3 p -119.03 162.49 18.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 108.295 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.4 m -50.09 -62.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.475 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -40.6 -66.98 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.415 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 8.7 t -48.53 -53.94 16.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt -51.9 -27.58 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 49' ' ' ALA . . . -66.35 -50.19 64.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.48 43.57 0.11 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.71 165.97 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.29 168.53 19.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.36 156.03 35.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.59 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 73.89 15.76 79.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -79.82 134.3 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 27.1 m-85 -107.32 111.64 24.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.2 mt -61.54 134.94 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 m -117.46 -38.16 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 3.4 m -153.36 162.37 41.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.1 mt -145.83 104.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 68.69 32.21 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.95 -15.97 61.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.514 ' O ' ' CB ' ' A' ' 62' ' ' SER . 79.1 t -74.02 160.58 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -88.9 134.35 33.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.0 m -145.73 32.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 108.281 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -103.52 -28.27 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -107.93 -20.16 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 107.981 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.5 mt -60.87 150.78 31.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.4 p -85.74 -161.57 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.449 ' CG2' HG12 ' A' ' 38' ' ' VAL . 75.3 t -76.07 -39.22 36.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -69.89 -56.9 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.62 -67.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 32' ' ' LEU . 66.8 t -44.81 -60.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.0 mmt -39.26 -63.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -51.47 -34.97 37.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.468 ' CD1' HG13 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -67.7 -29.68 69.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.464 ' CD2' HG22 ' A' ' 23' ' ' VAL . 4.9 mt -78.26 -47.39 18.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -51.16 -52.11 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.3 t -44.2 -37.59 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.463 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 22.2 m-85 -98.17 38.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -71.63 125.72 11.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.094 . . . . 0.0 110.962 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.27 32.77 83.07 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -136.81 123.51 21.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.94 115.0 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 15.6 m -121.92 164.53 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -111.07 102.09 10.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.2 ttp -91.55 142.94 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 17' ' ' ARG . 1.4 mtmt -124.99 132.24 53.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.84 162.05 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -140.3 139.88 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.15 135.0 33.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.989 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.57 ' CD1' ' CH2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -82.74 130.26 35.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mt -123.43 -170.09 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -161.38 165.16 29.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.45 -64.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 t -76.6 157.43 31.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.41 95.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.91 122.84 22.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.59 151.55 49.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -162.3 147.17 12.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.483 1.114 . . . . 0.0 109.575 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 t30 179.05 123.28 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.72 140.7 52.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.2 p -178.61 143.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.06 143.43 3.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -178.74 4.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.04 121.57 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.02 167.49 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.62 158.4 43.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.69 158.66 34.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.17 -152.4 17.27 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -124.3 146.79 48.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.966 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -162.13 111.17 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.044 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.18 -81.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.1 p 178.95 84.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.12 94.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.3 t -168.74 148.03 4.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.055 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 153.34 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.85 145.04 37.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -121.05 127.3 51.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 107.987 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -63.69 178.63 0.39 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.96 147.92 34.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.459 1.768 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 147.51 34.26 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.486 ' CG ' HG22 ' A' ' 92' ' ' VAL . 2.3 ptp85 -111.19 127.53 55.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.32 103.56 2.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.6 mt -95.61 146.35 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.43 111.31 13.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.567 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -156.73 173.7 16.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -110.82 135.34 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.41 135.51 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.3 mp0 -80.71 5.35 15.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 24' ' ' GLU . 3.4 pt-20 32.69 58.19 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 134.98 -46.44 1.04 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 1.8 m-20 -103.82 49.95 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.2 mt -48.2 -34.68 10.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.2 -0.02 74.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -159.74 175.02 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -134.83 177.06 8.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.526 ' N ' ' OG1' ' A' ' 31' ' ' THR . 19.0 mt -118.78 133.95 55.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -130.59 155.79 45.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.84 -159.88 20.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -110.47 -69.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.544 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -176.88 138.99 0.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.0 132.71 28.47 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.994 -2.502 . . . . 0.0 110.997 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.462 ' N ' ' HA ' ' A' ' 36' ' ' THR . 22.2 m -54.4 147.32 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.597 ' OE1' ' CE2' ' A' ' 59' ' ' TYR . 3.9 mt-30 -101.85 -173.51 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -119.09 106.27 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -93.81 65.6 3.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.585 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -44.18 133.41 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.4 mt -116.9 -41.61 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.405 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 3.3 m-20 -108.7 114.26 58.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 0.77 8.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.768 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -122.29 37.25 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.616 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 44' ' ' ASP . 28.3 p -101.83 159.08 15.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' ALA . 13.0 p -48.73 -58.93 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.486 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -39.31 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -47.69 -52.8 17.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.72 -25.72 7.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 49' ' ' ALA . . . -69.77 -56.61 6.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.68 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.23 167.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -145.24 159.64 42.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.23 170.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.555 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 64.14 12.8 51.31 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -81.53 133.3 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.597 ' CE2' ' OE1' ' A' ' 39' ' ' GLN . 17.3 m-85 -104.96 114.56 28.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.8 mt -65.74 128.18 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.2 m -109.83 -39.53 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 39.2 m -157.28 167.39 30.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 97.0 mt -141.62 114.87 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.19 -57.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.81 36.69 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.142 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' SER . 67.3 t -125.44 157.46 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.85 122.62 27.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.6 m -134.66 46.37 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 108.319 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.19 -28.39 9.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -106.44 -36.4 6.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 107.996 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.5 mt -40.45 151.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.9 p -89.58 -159.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 7.5 t -79.21 -32.06 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -73.09 -61.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.046 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.98 -58.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' LEU . 82.8 t -56.3 -60.56 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.8 mmt -37.99 -39.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -75.47 -47.1 28.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -57.49 -22.67 45.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mt -88.75 -48.62 7.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 84' ' ' GLY . 21.5 mttt -56.38 -47.27 79.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.7 t -45.57 -35.55 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 29.4 m-85 -95.77 35.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.464 ' CA ' ' HB3' ' A' ' 25' ' ' GLU . . . -60.85 126.64 41.34 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.32 35.31 90.76 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -139.16 122.97 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 110.259 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.2 123.38 13.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.449 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 9.5 m -126.79 168.92 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.359 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -116.91 99.05 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.457 ' SD ' ' CG1' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -92.69 133.69 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.83 137.57 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.486 HG22 ' CG ' ' A' ' 17' ' ' ARG . 34.0 m -137.15 150.01 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.55 168.12 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.0 m -107.71 151.79 25.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.1 tp -102.7 128.99 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 mt -122.82 128.33 50.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.02 168.92 9.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -60.83 3.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.9 t -170.89 163.95 7.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 p -156.2 159.11 38.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.065 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.5 t -177.67 146.49 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.69 127.25 32.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.61 141.05 52.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -177.93 117.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.55 121.99 11.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.81 158.52 39.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 142.87 97.2 0.26 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.17 6.34 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.466 1.772 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.94 136.93 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 53.7 p -177.79 139.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.949 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.4 p -78.32 64.04 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.987 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 m -137.75 130.22 29.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.54 114.29 5.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -135.8 114.56 11.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.1 p -161.07 159.12 28.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.73 -145.08 7.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.89 84.99 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.2 74.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -176.28 151.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' SER . 10.1 mttp -40.65 138.11 1.03 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.22 129.41 52.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.49 ' CZ2' HD11 ' A' ' 95' ' ' LEU . 55.4 m95 -119.01 154.97 32.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -88.48 179.45 1.65 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.2 Cg_endo -75.05 148.33 34.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 129.34 12.22 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.474 ' CD ' ' CG2' ' A' ' 92' ' ' VAL . 13.4 ptp180 -84.8 158.67 20.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.9 105.32 2.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.7 mt -99.86 148.92 6.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.767 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -140.61 110.78 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.508 ' CE1' ' HE3' ' A' ' 90' ' ' MET . 36.0 p90 -157.0 177.5 11.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -115.21 122.44 46.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.436 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 39.6 t -57.06 165.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 28.2 mt-10 -131.34 85.61 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -69.62 57.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -171.06 -39.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -157.99 100.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.3 mt -84.93 147.43 26.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -93.44 23.44 30.12 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -171.34 176.26 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.534 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -143.1 176.66 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.412 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.534 ' N ' ' OG1' ' A' ' 31' ' ' THR . 44.6 mt -124.59 124.55 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.0 163.74 24.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.17 -154.64 21.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.03 -79.2 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.546 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.5 t -170.96 139.88 1.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.5 Cg_endo -74.92 132.73 28.5 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.007 -0.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.459 ' N ' ' HA ' ' A' ' 36' ' ' THR . 15.6 m -54.93 142.72 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.43 ' NE2' ' CZ ' ' A' ' 59' ' ' TYR . 8.2 mt-30 -96.08 -172.58 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.1 t -125.44 115.65 44.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -106.74 87.49 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.545 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.468 ' CZ ' ' HA ' ' A' ' 50' ' ' SER . 5.7 m-85 -57.86 128.84 39.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.1 mt -103.9 -29.26 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.413 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 0.3 OUTLIER -126.06 128.45 24.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.567 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 18.5 Cg_endo -74.98 -9.71 20.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -131.61 65.73 1.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.473 ' CB ' ' HA3' ' A' ' 29' ' ' GLY . 1.2 p -108.32 -104.58 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 108.326 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' ALA . 40.6 m -146.75 -55.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -53.8 -45.04 70.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . 1.7 t -64.29 -49.37 72.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 45.1 mt -65.81 -21.25 66.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -68.16 -61.27 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.08 43.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.86 157.53 30.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 pttm -132.84 169.04 17.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -69.25 131.69 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.561 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 94.79 19.26 32.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -83.22 133.03 35.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 20.3 m-85 -105.82 113.87 27.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.6 mt -61.4 127.83 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.469 ' CG1' HG23 ' A' ' 93' ' ' VAL . 31.0 m -113.11 -35.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 61.2 m -159.64 155.11 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.8 mt -135.32 113.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 75.3 -55.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.25 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.73 36.92 0.05 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 62' ' ' SER . 64.3 t -126.12 161.82 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.406 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -89.9 115.14 26.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 29.1 m -124.18 39.1 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.15 -25.47 14.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -104.6 -34.91 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 14.9 mt -48.53 158.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.6 p -99.83 -152.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.454 HG22 ' CG1' ' A' ' 38' ' ' VAL . 3.1 t -78.62 -42.02 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -39.43 -57.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' LEU . 81.9 t -57.59 -54.85 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.421 ' SD ' ' CE ' ' A' ' 81' ' ' LYS . 1.7 mmt -42.29 -44.68 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -71.84 -36.14 70.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -66.96 -23.47 65.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 mt -89.81 -47.35 7.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.421 ' CE ' ' SD ' ' A' ' 77' ' ' MET . 14.0 mttt -57.86 -48.44 79.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -47.11 -38.87 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.462 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 23.0 m-85 -94.55 39.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.36 129.74 23.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.0 33.71 86.53 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -137.03 121.19 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 0.0 110.29 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.27 113.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 5.1 m -118.81 177.78 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.24 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -126.33 98.54 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.508 ' HE3' ' CE1' ' A' ' 21' ' ' PHE . 44.5 ttp -95.94 126.95 41.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -106.22 141.25 37.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.474 ' CG2' ' CD ' ' A' ' 17' ' ' ARG . 10.6 m -136.32 156.66 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.469 HG23 ' CG1' ' A' ' 61' ' ' VAL . 3.9 m -130.12 167.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.64 132.18 53.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.49 HD11 ' CZ2' ' A' ' 13' ' ' TRP . 11.1 tp -80.79 122.16 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.2 123.7 49.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.18 164.62 12.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.8 m -66.72 -178.19 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.8 t -98.11 154.59 17.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.09 161.31 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.38 129.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -149.01 125.28 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -134.96 170.98 15.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 0.0 109.633 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 172.54 158.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.03 167.08 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.59 163.22 12.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.43 95.07 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -179.32 4.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.01 170.91 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.71 -59.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.23 133.05 34.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -94.82 -58.11 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.956 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.7 99.9 0.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -159.95 118.89 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.974 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m 60.49 113.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.064 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.41 -66.81 0.32 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.5 t 62.21 104.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 109.963 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.24 105.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.92 130.74 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -85.11 123.68 30.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.63 133.08 33.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -118.05 154.12 32.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 107.988 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -89.16 179.67 1.53 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.04 151.49 39.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 126.61 10.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' A' ' 91' ' ' LYS . 18.4 mtp180 -85.97 153.43 22.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.45 110.31 3.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 mt -106.04 151.75 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.339 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -140.36 110.41 6.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -157.12 174.44 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -114.18 108.16 16.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 37.8 t -43.05 164.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.466 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 3.6 mt-10 -126.96 84.68 2.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.06 58.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.28 -40.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -155.68 105.92 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.3 mt -92.92 147.45 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.9 24.96 30.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -168.93 163.18 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.524 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -129.43 176.87 7.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' N ' ' OG1' ' A' ' 31' ' ' THR . 81.6 mt -120.51 113.6 20.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -113.2 157.2 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.57 -166.19 30.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.08 -71.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.553 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.2 t -175.63 141.31 0.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.04 132.25 26.93 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.992 0.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' N ' ' HA ' ' A' ' 36' ' ' THR . 28.8 m -53.24 156.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.423 ' HG3' ' CD2' ' A' ' 59' ' ' TYR . 4.3 mt-30 -110.94 -171.35 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.6 t -125.47 112.5 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 42' ' ' PHE . 6.6 t60 -100.08 64.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.583 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -36.18 126.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.4 mt -111.01 -30.04 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.416 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 60.0 m-20 -126.58 113.82 22.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.471 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 18.4 Cg_endo -74.95 1.08 8.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.457 1.767 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 45' ' ' PRO . 34.6 m170 -144.45 60.76 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.627 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 44' ' ' ASP . 4.7 p -114.99 -50.44 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.416 ' N ' HD11 ' A' ' 51' ' ' LEU . 1.6 m 170.33 -67.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.48 -56.43 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -44.15 75.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 48' ' ' SER . 2.0 mt -66.26 -16.69 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.83 -55.5 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.79 44.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . . . -111.52 174.77 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -148.28 166.58 27.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -71.31 139.92 50.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.57 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 87.98 15.62 60.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -77.9 129.2 35.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 25.1 m-85 -103.09 117.54 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 9.6 mt -67.33 126.26 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.443 ' CG1' HG21 ' A' ' 93' ' ' VAL . 6.8 m -114.06 -38.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.8 m -151.35 162.55 40.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.9 mt -147.66 106.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 77.38 -0.31 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.42 10.89 10.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.44 HG11 ' CD2' ' A' ' 79' ' ' LEU . 4.3 p -84.49 -177.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.89 93.72 4.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 61' ' ' VAL . 63.8 m -110.08 43.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.7 -24.83 13.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -110.39 -36.43 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.027 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.436 ' CD1' HD13 ' A' ' 79' ' ' LEU . 20.5 mt -41.81 154.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.5 p -94.15 -151.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 52.9 t -82.72 -51.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 t -55.03 -44.98 75.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.41 -71.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' LEU . 55.0 t -40.98 -59.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.4 mmt -37.75 -51.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -67.44 -41.07 85.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.2 OUTLIER -59.0 -31.0 68.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.7 mt -84.72 -46.17 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -53.99 -50.94 65.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 t -47.79 -43.39 27.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.466 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 16.0 m-30 -89.74 42.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.61 134.01 15.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.5 23.98 65.41 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -127.92 125.93 40.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 0.801 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.48 110.19 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 4.5 m -116.19 175.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -121.5 99.66 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -91.99 137.71 32.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -114.61 137.64 51.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.503 ' CG1' ' SD ' ' A' ' 90' ' ' MET . 15.5 m -133.64 149.15 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.443 HG21 ' CG1' ' A' ' 61' ' ' VAL . 2.3 m -128.56 140.63 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -86.03 145.42 27.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.4 tp -97.23 129.86 44.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.41 ' N ' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -113.18 127.56 56.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -146.15 153.37 40.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 p -71.39 178.2 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.4 m -151.56 116.76 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.8 t -103.22 167.82 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.91 168.14 27.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.61 133.45 23.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -93.64 159.21 15.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.12 142.06 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 142.09 37.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.51 163.63 15.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.93 136.63 12.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -177.71 3.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.9 m -132.22 167.18 20.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.943 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 72.0 p -128.49 152.57 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 111.051 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t 178.08 85.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.747 . . . . 0.0 109.985 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -155.3 146.02 22.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.43 144.77 4.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.565 1.165 . . . . 0.0 111.038 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.01 147.5 29.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -171.84 134.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.05 83.18 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.9 m -135.76 112.31 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.63 70.38 6.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.38 145.66 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -49.33 126.4 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.374 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.94 129.08 35.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -115.8 151.61 34.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.001 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -85.39 174.78 5.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.2 Cg_endo -74.98 155.01 42.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 142.03 27.16 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.501 ' CG ' HG23 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -108.67 130.2 55.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.35 99.73 2.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mt -90.21 150.04 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 0.795 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 110.62 10.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.629 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CE1' ' HE3' ' A' ' 90' ' ' MET . 27.8 p90 -157.14 171.01 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.23 119.9 39.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.465 HG11 ' N ' ' A' ' 24' ' ' GLU . 58.4 t -58.64 145.34 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.465 ' N ' HG11 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -119.6 115.17 23.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.36 47.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.99 -42.47 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 111.052 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -151.13 97.58 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.2 mt -73.65 -24.59 60.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.34 -1.9 63.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -151.48 176.84 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -145.03 177.3 8.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.536 ' N ' ' OG1' ' A' ' 31' ' ' THR . 22.7 mt -133.21 128.68 36.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.584 ' HG3' ' CE1' ' A' ' 41' ' ' HIS . 0.7 OUTLIER -87.09 160.79 18.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.52 110.01 2.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 175.82 -165.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.49 ' HA ' ' N ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -168.47 127.94 1.0 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.482 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.0 128.09 15.72 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.986 0.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.49 ' N ' ' HA ' ' A' ' 36' ' ' THR . 14.7 m -40.63 136.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 62.9 mt-30 -106.42 146.32 30.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.9 t -82.18 136.97 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.584 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 6.5 m-70 -126.57 70.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.562 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -38.41 133.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.459 HD13 ' CG2' ' A' ' 31' ' ' THR . 13.6 mt -107.91 -26.53 10.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.95 130.7 24.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -7.52 19.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -125.52 58.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.613 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 12.8 p -113.83 153.3 29.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.252 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -48.01 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -40.48 -62.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -52.73 -47.54 67.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.01 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.9 -17.76 62.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 49' ' ' ALA . . . -71.97 -57.79 4.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.4 44.47 0.03 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.56 166.57 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 0.728 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -129.39 -171.74 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.81 135.74 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 88.38 14.01 62.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -60.87 125.3 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 109.272 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.602 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 60.6 m-85 -98.94 98.36 9.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 68' ' ' CYS . 36.0 mt -56.1 133.75 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.4 m -116.44 -37.68 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 40.0 m -161.05 156.95 25.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 87.9 mt -132.54 112.23 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 74.38 -56.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.7 36.59 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 62' ' ' SER . 57.1 t -125.55 153.67 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.367 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.0 124.08 28.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 60' ' ' ILE . 95.3 m -136.09 53.42 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 108.286 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -106.91 -36.5 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 71' ' ' LEU . 4.7 m95 -103.85 -33.65 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.052 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' TRP . 16.7 mt -39.5 149.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.5 p -90.41 -158.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 12.6 t -74.71 -51.57 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 t -55.8 -58.22 8.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.44 -55.28 3.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' LEU . 53.4 t -63.76 -61.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -39.65 -45.9 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -65.44 -44.07 88.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.463 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -63.02 -23.8 67.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mt -86.56 -47.5 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 84' ' ' GLY . 19.9 mttt -56.91 -49.31 75.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.6 t -44.06 -37.81 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.477 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 25.0 m-85 -95.5 40.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -71.43 126.84 13.34 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.5 21.53 77.6 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -131.73 123.06 26.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 0.731 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.44 123.48 17.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 6.2 m -124.68 171.83 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -115.68 100.86 8.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.507 ' HE3' ' CE1' ' A' ' 21' ' ' PHE . 34.2 ttp -92.16 136.89 32.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.33 128.57 56.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.501 HG23 ' CG ' ' A' ' 17' ' ' ARG . 34.3 m -133.77 154.53 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.81 163.55 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -104.88 165.68 10.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.6 tp -114.19 126.7 55.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.11 126.33 55.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.59 152.88 36.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -57.65 164.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.3 m -113.29 124.31 52.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.7 p -126.1 155.13 42.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.15 123.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.68 145.48 3.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.46 166.3 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.633 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -170.22 161.0 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.72 155.15 41.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.69 152.21 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.103 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 153.31 84.23 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -67.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.769 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.04 136.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 t -150.69 154.58 37.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.73 90.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.01 151.15 45.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.27 175.38 25.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.74 117.51 9.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.6 p -127.51 112.94 15.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.953 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.04 -105.81 3.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p -137.63 86.92 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -155.63 141.68 18.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.06 155.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -54.44 135.56 45.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -92.29 124.72 36.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.543 ' CZ2' HD12 ' A' ' 95' ' ' LEU . 61.7 m95 -118.99 150.3 40.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -80.89 173.31 7.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.993 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.97 147.85 34.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 128.8 11.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' CG ' HG22 ' A' ' 92' ' ' VAL . 9.5 ptp180 -91.44 160.97 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.02 114.39 4.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.426 1.079 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.427 ' CG2' ' HB1' ' A' ' 52' ' ' ALA . 3.1 mt -109.02 154.6 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.555 0.797 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -139.82 110.3 6.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -157.41 174.53 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -109.57 128.23 55.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 40.8 t -66.38 165.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.482 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.4 mm-40 -131.05 84.69 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.43 59.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -170.92 -39.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -157.34 107.49 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.24 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 99.6 mt -95.25 146.3 24.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -90.54 19.87 41.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -166.75 176.1 7.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 0.795 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -143.88 177.01 8.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.533 ' N ' ' OG1' ' A' ' 31' ' ' THR . 49.4 mt -116.21 123.12 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -121.27 156.96 31.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.9 -165.35 30.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -101.86 -72.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.553 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.7 t -174.61 140.79 0.72 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 133.49 31.67 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.055 -2.477 . . . . 0.0 110.942 0.026 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.452 ' N ' ' HA ' ' A' ' 36' ' ' THR . 19.6 m -55.11 152.9 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' NE2' ' CE2' ' A' ' 59' ' ' TYR . 2.6 mt-30 -106.65 -169.98 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 50.0 t -123.04 103.55 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -96.35 67.14 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.627 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -41.57 137.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -111.82 -35.59 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.428 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 2.8 m-20 -113.34 128.05 26.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.79 11.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -136.68 64.07 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.544 ' O ' ' C ' ' A' ' 48' ' ' SER . 5.4 p -120.95 141.95 50.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.544 ' C ' ' O ' ' A' ' 47' ' ' CYS . 0.4 OUTLIER -28.0 -64.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 48' ' ' SER . . . -38.36 -56.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 47' ' ' CYS . 9.5 t -63.62 -47.42 81.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -53.96 -25.13 19.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.427 ' HB1' ' CG2' ' A' ' 19' ' ' ILE . . . -72.48 -58.5 3.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.81 44.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -109.43 163.97 12.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -141.44 172.98 11.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.97 172.91 9.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 59.38 19.63 47.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -89.15 130.33 35.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.46 ' CE2' ' NE2' ' A' ' 39' ' ' GLN . 14.2 m-85 -105.58 115.34 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.65 127.65 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.461 ' CG1' HG23 ' A' ' 93' ' ' VAL . 29.7 m -109.6 -39.48 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 71.0 m -154.21 160.26 41.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 90.3 mt -138.23 114.07 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 75.35 -57.12 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.64 37.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 62' ' ' SER . 62.9 t -124.14 162.89 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.424 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -90.85 114.72 27.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 53.1 m -126.87 49.94 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 108.253 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.74 -8.8 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -132.55 10.68 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 30.0 mt -87.24 155.04 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.9 p -86.94 -168.64 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.432 ' CG2' HG11 ' A' ' 38' ' ' VAL . 4.7 t -75.98 -27.34 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -79.43 -53.85 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -44.88 -63.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 79' ' ' LEU . 71.8 t -51.45 -54.23 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 mmt -46.85 -29.26 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -33.42 22.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -71.81 -22.94 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.9 mt -88.72 -49.86 6.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' GLY . 18.9 mttm -54.83 -48.26 73.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -45.96 -42.13 12.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.546 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 24.8 m-85 -92.21 35.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -62.05 136.28 45.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 53.64 27.93 36.37 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -128.99 121.02 27.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 110.346 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.56 119.61 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 5.2 m -128.5 174.6 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.81 100.44 7.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.427 ' SD ' ' CG1' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -92.11 140.61 29.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -113.96 138.54 50.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.484 HG22 ' CG ' ' A' ' 17' ' ' ARG . 15.6 m -135.86 155.45 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.461 HG23 ' CG1' ' A' ' 61' ' ' VAL . 3.2 m -135.64 159.86 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.59 133.39 46.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.047 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.543 HD12 ' CZ2' ' A' ' 13' ' ' TRP . 20.4 tp -89.62 114.18 25.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.6 -161.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.39 178.24 7.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 p -103.11 -179.46 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.1 m -82.77 140.1 33.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.373 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.0 p -133.97 139.0 45.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.64 133.47 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.051 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.9 ttm 57.61 157.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.42 -59.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.558 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.75 154.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -135.3 154.51 51.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -102.81 158.85 15.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -120.54 97.12 0.63 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.03 10.46 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.46 135.26 33.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.032 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.6 t -106.1 160.98 14.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.27 161.27 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.93 -58.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.12 -163.23 24.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 t -80.66 124.19 28.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -155.11 144.42 21.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.2 119.3 6.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -67.71 118.42 10.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.73 88.68 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.78 134.92 35.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.13 158.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.7 141.08 47.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CH2' ' HG ' ' A' ' 95' ' ' LEU . 40.4 m95 -120.87 155.78 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.536 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -86.57 179.94 1.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.05 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.5 Cg_endo -75.0 148.86 35.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 149.71 37.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.5 ' CG ' HG23 ' A' ' 92' ' ' VAL . 1.3 ptp85 -109.05 125.59 52.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.358 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.4 103.48 1.84 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 mt -96.08 148.75 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -131.75 110.39 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.41 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 39.6 p90 -157.31 172.66 18.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.45 120.75 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.466 HG11 ' CD2' ' A' ' 28' ' ' LEU . 54.1 t -59.98 148.88 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.46 ' N ' HG13 ' A' ' 23' ' ' VAL . 0.4 OUTLIER -121.64 115.07 22.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.466 ' CG ' ' HA3' ' A' ' 84' ' ' GLY . 9.6 mt-10 -79.46 52.14 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.29 -38.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.69 92.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . 71.1 mt -73.23 -38.36 66.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.65 6.5 59.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 28' ' ' LEU . 5.5 p90 -167.12 161.32 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -128.64 177.44 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.542 ' N ' ' OG1' ' A' ' 31' ' ' THR . 15.2 mt -125.71 143.14 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.502 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 1.9 mmt180 -96.41 159.85 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -72.27 112.23 3.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.516 ' C ' ' CG2' ' A' ' 36' ' ' THR . 1.4 m120 158.85 -177.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.516 ' CG2' ' C ' ' A' ' 35' ' ' ASN . 1.5 p -154.43 129.04 4.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.02 135.24 39.6 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.006 0.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 15.9 m -52.75 141.62 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.528 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 38.2 mt-30 -91.65 -175.28 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.3 t -123.76 121.14 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' PHE . 12.1 t60 -110.99 66.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.5 ' CZ ' ' HA ' ' A' ' 50' ' ' SER . 0.5 OUTLIER -36.62 142.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.7 mt -117.52 -39.46 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.374 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.43 115.18 42.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.37 7.83 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.429 1.752 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -132.67 44.71 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.4 172.66 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 108.324 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . 47.4 m -53.11 -67.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -40.16 -66.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . 1.9 t -44.5 -58.22 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 mt -51.75 -42.96 62.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 49' ' ' ALA . . . -42.91 -67.63 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.95 44.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.418 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . . . -105.79 177.53 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.54 177.03 8.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -88.97 120.76 30.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 110.08 -12.66 31.6 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 57' ' ' GLY . 74.2 m-20 -39.73 137.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.557 ' CE2' HD11 ' A' ' 95' ' ' LEU . 21.9 m-85 -111.08 98.88 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.416 ' CD1' HD22 ' A' ' 32' ' ' LEU . 84.5 mt -49.8 117.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.7 p -107.23 -26.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 73.8 m -167.18 161.36 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 62.9 mt -144.91 113.97 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 69.94 6.57 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.95 4.82 33.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.435 ' CG1' HD22 ' A' ' 79' ' ' LEU . 85.3 t -85.52 152.04 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.78 114.95 19.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 60' ' ' ILE . 64.7 m -131.71 56.57 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 -29.83 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -107.58 -34.09 7.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.5 mt -41.17 145.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 50.8 p -90.35 -172.42 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 9.8 t -61.55 -45.99 97.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.2 p -61.14 -63.64 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -40.0 -62.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 110.267 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.466 HG13 ' CD1' ' A' ' 32' ' ' LEU . 53.6 t -51.03 -61.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.476 ' HE2' ' CD1' ' A' ' 32' ' ' LEU . 4.1 mmt -39.43 -50.92 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -60.72 -43.44 97.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -61.16 -28.73 69.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.403 ' CD2' HG21 ' A' ' 23' ' ' VAL . 6.2 mt -84.33 -47.15 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' GLY . 8.4 mttt -54.44 -48.56 71.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.3 t -44.99 -37.33 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.439 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 19.6 m-85 -94.87 35.6 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.466 ' HA3' ' CG ' ' A' ' 25' ' ' GLU . . . -68.6 121.42 12.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.12 21.92 66.7 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -136.31 138.43 41.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -72.11 128.83 36.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.439 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 10.9 m -131.41 165.46 31.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.0 102.94 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.9 ttp -92.09 139.45 30.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.45 126.95 50.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.5 HG23 ' CG ' ' A' ' 17' ' ' ARG . 33.6 m -133.27 141.28 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.8 m -115.24 151.03 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 t -85.58 165.72 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.575 ' HG ' ' CH2' ' A' ' 13' ' ' TRP . 0.8 OUTLIER -114.37 125.54 53.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.426 ' CD1' ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -118.0 126.29 52.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -133.79 146.31 50.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.9 m -58.89 178.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 13.5 t -100.08 154.36 18.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.61 134.12 22.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.0 p -178.26 149.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.8 ptm -136.62 158.02 45.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -152.5 153.28 33.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.643 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -169.69 156.15 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 146.54 33.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.74 98.03 4.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 158.7 126.57 0.87 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 145.37 31.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.538 1.809 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.82 144.74 32.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 109.978 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -102.65 169.5 8.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m 62.97 132.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.59 163.57 4.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.92 85.38 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -157.66 123.79 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -163.25 96.47 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.66 113.2 5.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.4 t -124.51 147.36 48.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.46 62.23 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.4 p -113.33 176.64 4.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.039 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.11 168.09 14.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -127.03 141.68 51.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.561 ' CZ2' HD12 ' A' ' 95' ' ' LEU . 56.1 m95 -122.2 150.06 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -83.25 178.49 2.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.95 147.79 34.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 133.15 16.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.48 ' CG ' HG21 ' A' ' 92' ' ' VAL . 13.0 ptp180 -95.68 150.7 20.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.95 109.11 3.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mt -99.49 151.46 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.85 110.57 7.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.611 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.558 ' CE1' ' HE1' ' A' ' 90' ' ' MET . 25.2 p90 -156.97 173.23 17.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.2 106.94 15.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 24' ' ' GLU . 47.1 t -41.37 156.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 23' ' ' VAL . 1.1 mm-40 -117.96 98.65 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.39 54.18 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.08 -37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.4 80.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.5 mt -54.17 -42.04 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.09 3.75 69.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -159.32 174.17 15.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.31 178.72 6.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.448 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.533 ' N ' ' OG1' ' A' ' 31' ' ' THR . 88.9 mt -124.55 112.37 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.69 166.51 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.66 -177.36 53.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.91 -71.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.527 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.1 t -173.51 138.49 0.77 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.02 132.06 26.32 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.991 0.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.467 ' N ' ' HA ' ' A' ' 36' ' ' THR . 24.3 m -51.09 154.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -101.24 -178.74 3.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -122.42 99.66 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -95.23 104.51 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.566 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -80.58 110.24 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD2' HG21 ' A' ' 31' ' ' THR . 1.3 mm? -85.15 -34.37 22.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -119.83 136.39 24.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.72 5.95 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.511 1.796 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -95.26 29.39 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.627 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.6 p -62.49 -121.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -144.87 -49.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.91 -52.09 66.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 t -55.36 -36.49 66.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.48 -44.57 67.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 21' ' ' PHE . . . -45.16 -65.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 162.59 43.52 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.05 172.29 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -137.58 -179.49 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.24 156.81 27.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.514 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 71.17 20.14 77.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -85.6 137.18 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 0.739 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.514 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 18.0 m-85 -108.21 121.9 45.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.33 130.1 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.445 ' CG1' HG22 ' A' ' 93' ' ' VAL . 5.9 m -110.4 -36.75 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 58.4 m -152.63 157.37 40.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.994 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 64' ' ' GLN . 11.9 mt -134.86 99.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER 77.89 -3.26 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.267 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 136.42 -30.41 2.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.468 HG13 ' CD2' ' A' ' 79' ' ' LEU . 4.5 p -50.36 178.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.69 100.89 8.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' VAL . 36.9 m -109.18 44.1 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.21 -24.46 13.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -110.23 -39.32 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.2 mt -40.75 159.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.6 p -100.34 -156.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.3 t -76.45 -49.52 24.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 t -53.64 -66.29 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.49 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' LEU . 70.6 t -41.09 -62.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 1.8 mmt -39.0 -49.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -41.58 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.468 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -60.76 -30.7 70.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mt -83.49 -46.03 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -57.3 -41.83 80.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.9 t -54.82 -44.88 74.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -88.68 37.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.21 126.81 10.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.35 27.12 73.18 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -133.29 124.62 27.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.267 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.29 111.84 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.7 m -118.13 -178.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -124.67 101.02 6.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.558 ' HE1' ' CE1' ' A' ' 21' ' ' PHE . 31.0 ttp -91.98 135.7 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -113.46 130.87 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.48 HG21 ' CG ' ' A' ' 17' ' ' ARG . 28.2 m -128.38 154.74 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.445 HG22 ' CG1' ' A' ' 61' ' ' VAL . 2.4 m -134.14 168.75 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.68 141.6 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.561 HD12 ' CZ2' ' A' ' 13' ' ' TRP . 16.5 tp -96.37 115.48 27.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -107.12 126.19 52.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.11 153.8 37.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -65.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.2 m 62.44 101.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.6 p -97.44 128.94 44.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.7 163.7 15.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.58 131.56 29.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -144.7 138.42 27.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.618 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -172.94 150.67 2.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.69 162.74 15.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.74 168.11 28.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.95 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.5 96.99 0.1 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 164.96 32.27 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.99 152.91 23.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.1 p -103.94 138.7 40.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -164.73 -58.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -156.74 -58.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.02 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.61 103.34 0.79 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -95.1 147.06 23.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 0.757 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 179.64 155.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.49 -174.1 0.71 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.1 86.9 2.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 0.745 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.23 95.44 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.15 138.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -48.7 119.65 3.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -80.35 124.26 28.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.497 ' CZ3' ' HB2' ' A' ' 95' ' ' LEU . 76.2 m95 -111.25 156.25 21.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.548 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -94.17 -179.63 1.03 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.997 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.98 149.19 36.42 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' N ' HG11 ' A' ' 93' ' ' VAL . 18.4 Cg_endo -75.0 151.39 39.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' CD ' ' CG2' ' A' ' 92' ' ' VAL . 11.3 ptp180 -109.75 151.02 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.84 111.04 4.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.462 ' CG2' ' HB2' ' A' ' 52' ' ' ALA . 5.7 mt -105.54 150.91 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -138.32 111.53 7.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.618 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.562 ' CE1' ' HE3' ' A' ' 90' ' ' MET . 46.5 p90 -153.91 171.69 18.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.472 ' CG2' ' HA2' ' A' ' 85' ' ' GLY . 1.6 m -111.07 107.33 16.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 41.8 t -43.2 163.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -136.41 110.52 8.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -83.66 49.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.32 -41.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -149.84 90.64 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.1 -25.55 67.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.82 5.56 69.86 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -160.89 163.49 31.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.516 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -129.93 176.89 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.516 ' N ' ' OG1' ' A' ' 31' ' ' THR . 50.2 mt -118.8 150.36 39.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.491 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 12.1 mmt180 -97.39 160.82 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -80.77 108.84 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.522 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 1.1 m120 154.05 -170.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.529 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -156.98 135.66 7.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.449 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.02 130.43 21.28 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.967 0.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.492 ' N ' ' HA ' ' A' ' 36' ' ' THR . 27.7 m -49.49 146.4 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.554 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 1.0 OUTLIER -101.77 -170.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -126.31 119.79 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -102.27 65.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.57 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 2.7 m-85 -38.4 126.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.5 mt -109.48 -29.14 8.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -130.33 119.12 18.43 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.47 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -134.61 51.85 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' SER . 6.9 p -104.22 -49.34 3.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.4 OUTLIER 158.41 -65.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.12 -50.0 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.468 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 5.5 t -58.96 -47.44 85.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.47 -24.97 67.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.462 ' HB2' ' CG2' ' A' ' 19' ' ' ILE . . . -62.48 -63.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.53 42.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.03 161.72 19.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 0.81 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 10.3 mttt -143.14 153.69 43.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -48.94 115.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 115.64 24.95 3.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 55.8 m-20 -84.75 115.55 22.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.554 ' CZ ' ' CD ' ' A' ' 39' ' ' GLN . 28.4 m-85 -93.81 101.04 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.1 mt -48.62 116.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 p -110.24 -39.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -145.66 170.13 17.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.934 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 62' ' ' SER . 14.7 mt -156.57 101.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 71.7 17.14 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.7 10.9 54.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.6 t -90.62 163.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -88.91 113.82 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 87.9 m -134.87 49.45 2.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 108.309 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.14 -27.3 12.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -109.39 -35.48 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.8 mt -40.71 147.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.1 p -96.3 -155.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 41.6 t -74.52 -51.74 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.7 t -49.86 -60.84 2.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.31 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 80' ' ' LEU . 75.9 t -41.97 -59.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 76' ' ' VAL . 4.0 mmt -37.22 -55.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -42.98 95.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.555 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -59.25 -24.24 63.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' VAL . 5.5 mt -90.47 -51.83 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -55.37 -48.27 74.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.5 t -45.14 -36.94 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 23.5 m-85 -97.03 40.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.08 124.2 35.33 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' ' 22' ' ' THR . . . 44.87 43.05 8.13 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -117.15 -3.66 11.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 60.65 111.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 5.6 m -134.68 172.26 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -116.84 105.42 12.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.562 ' HE3' ' CE1' ' A' ' 21' ' ' PHE . 18.3 ttp -91.65 134.16 34.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -110.07 134.35 52.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.484 ' CG2' ' CD ' ' A' ' 17' ' ' ARG . 26.8 m -134.94 143.72 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 16' ' ' PRO . 1.4 m -118.27 163.08 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.31 146.09 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.497 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 24.4 tp -98.67 121.14 40.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.401 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -112.29 126.39 55.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -172.23 157.95 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -60.56 2.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 92.9 m 60.19 148.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.23 141.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.3 t -175.52 102.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.8 ttt -149.96 160.06 43.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -160.9 137.49 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.573 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -170.16 141.3 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -109.28 -65.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.32 169.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.053 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 150.66 85.51 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 166.73 28.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.443 1.76 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.7 p -92.93 169.62 10.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.9 t -146.33 133.91 20.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.43 158.53 9.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.47 115.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.74 -132.18 10.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -176.12 127.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.007 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -177.97 145.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.89 151.51 12.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -170.0 122.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 55.63 82.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.52 94.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -71.59 124.77 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -82.11 125.39 30.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.409 ' CE2' HD13 ' A' ' 95' ' ' LEU . 61.2 m95 -109.72 156.57 20.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.022 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -92.52 179.33 1.36 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.002 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.2 Cg_endo -75.0 149.33 36.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.422 ' N ' HG11 ' A' ' 93' ' ' VAL . 18.4 Cg_endo -74.95 138.12 22.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.465 ' CZ ' HG22 ' A' ' 92' ' ' VAL . 1.0 OUTLIER -87.08 174.26 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.38 86.92 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 52' ' ' ALA . 7.4 mt -89.62 149.41 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.3 110.72 9.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.59 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.548 ' CE1' ' HE1' ' A' ' 90' ' ' MET . 13.4 p90 -154.97 176.22 12.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.99 112.27 23.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.2 t -49.49 135.67 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.465 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 2.7 tt0 -108.43 113.44 26.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.26 13.69 6.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 27' ' ' ASP . . . -126.43 -4.51 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.465 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 1.8 t70 174.17 66.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 27' ' ' ASP . 15.9 mt -37.35 -37.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.18 -35.41 4.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.42 1.075 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -126.07 -171.9 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.51 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -144.08 176.33 9.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.372 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' N ' ' OG1' ' A' ' 31' ' ' THR . 21.1 mt -129.32 122.22 29.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.12 161.53 39.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.34 -164.65 25.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -97.03 -175.56 3.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.538 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.9 t -89.88 140.94 27.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -74.99 132.33 27.22 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.994 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.46 ' N ' ' HA ' ' A' ' 36' ' ' THR . 15.7 m -52.72 147.71 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.538 ' OE1' ' CE2' ' A' ' 59' ' ' TYR . 2.2 mt-30 -107.09 166.03 10.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.4 t -102.67 126.75 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -113.05 76.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.618 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 2.2 m-85 -39.97 124.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.87 -29.73 10.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.8 134.37 25.59 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -6.64 18.27 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -128.14 53.98 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.7 p -105.01 153.8 20.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 52' ' ' ALA . 16.7 m -45.25 -58.4 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.953 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -44.12 -60.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.465 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 38.9 t -53.62 -49.8 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.85 -18.76 46.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HB3' ' CG2' ' A' ' 19' ' ' ILE . . . -76.65 -58.14 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.9 50.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -118.54 153.54 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -130.36 139.94 50.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -41.42 125.45 2.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.1 24.73 5.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -87.51 122.53 31.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.538 ' CE2' ' OE1' ' A' ' 39' ' ' GLN . 7.4 m-85 -100.13 96.96 7.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 57.2 mt -48.65 96.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 59' ' ' TYR . 3.1 p -87.39 -28.31 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 36.3 m -168.77 155.24 6.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.7 mt -132.5 118.25 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 73.82 -57.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.38 37.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 62' ' ' SER . 64.6 t -124.64 146.34 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.86 115.73 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.7 m -122.3 45.49 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.97 -14.64 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -114.33 -43.68 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.429 ' CD1' HD12 ' A' ' 79' ' ' LEU . 19.3 mt -40.31 151.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.2 p -94.74 -158.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.437 ' CG2' HG11 ' A' ' 38' ' ' VAL . 33.5 t -73.59 -46.77 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.6 t -58.33 -61.68 2.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -40.75 -69.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' LEU . 72.0 t -44.33 -58.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -38.42 -43.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -73.57 -44.45 57.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.471 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -56.61 -25.86 54.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 mt -86.54 -46.65 9.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -53.73 -50.1 66.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 t -45.01 -47.56 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.482 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 28.8 m-85 -88.69 40.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.46 124.04 9.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.16 35.89 84.2 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -141.0 122.09 14.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.99 115.29 1.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 11.3 m -124.76 164.88 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.11 104.07 12.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.548 ' HE1' ' CE1' ' A' ' 21' ' ' PHE . 30.6 ttp -91.54 137.18 32.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -123.23 133.36 54.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.465 HG22 ' CZ ' ' A' ' 17' ' ' ARG . 29.4 m -136.24 146.09 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 16' ' ' PRO . 2.4 m -118.07 143.38 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.28 138.56 31.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 28.9 tp -90.49 131.17 36.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.413 ' CD1' ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -121.93 124.29 43.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -114.86 155.39 26.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 p -89.15 176.11 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.8 m 55.58 91.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.1 p -60.18 168.17 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.93 121.24 44.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.23 122.02 4.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.25 134.11 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.582 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 175.18 165.95 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -126.91 170.45 12.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 71.8 p -160.54 126.98 4.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -153.85 93.1 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -179.17 4.74 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 110.948 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.0 145.92 44.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.7 m -158.71 156.37 29.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 p 55.68 167.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.52 143.1 5.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.75 97.45 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.69 99.15 11.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 0.792 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 t -115.09 104.09 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.18 -138.74 8.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.27 121.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.65 102.01 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -134.36 150.63 50.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 10' ' ' SER . 0.7 OUTLIER 38.62 -158.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.6 132.56 21.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -125.81 148.03 49.25 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -79.54 179.45 1.82 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.043 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 147.4 33.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.814 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 146.31 32.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.498 ' CG ' HG21 ' A' ' 92' ' ' VAL . 1.8 ptp180 -109.07 130.13 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.82 99.45 2.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.6 mt -89.15 150.77 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -134.12 110.31 9.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.577 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.573 ' CE1' ' HE1' ' A' ' 90' ' ' MET . 24.0 p90 -157.07 172.82 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.75 108.06 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.427 HG11 ' N ' ' A' ' 24' ' ' GLU . 55.6 t -42.92 154.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.427 ' N ' HG11 ' A' ' 23' ' ' VAL . 4.2 mm-40 -114.78 101.27 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -79.57 51.94 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.03 -39.88 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -151.42 77.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.9 mt -46.27 -35.59 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.1 -36.13 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -121.42 179.2 4.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -136.52 176.72 8.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.521 ' N ' ' OG1' ' A' ' 31' ' ' THR . 89.1 mt -119.46 128.19 53.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.31 159.87 33.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.19 -167.63 33.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.84 -73.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.545 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 2.6 t -174.4 140.78 0.74 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -74.98 132.25 26.94 Favored 'Cis proline' 0 C--N 1.359 1.103 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.007 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.462 ' N ' ' HA ' ' A' ' 36' ' ' THR . 16.2 m -55.22 144.98 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.462 ' HG3' ' CD2' ' A' ' 59' ' ' TYR . 2.4 mt-30 -99.92 -174.11 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 58' ' ' ASP . 20.5 t -120.77 117.58 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -105.89 94.88 5.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.553 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 4.4 m-85 -63.37 118.83 8.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 mt -108.37 -24.1 11.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -130.08 133.67 25.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -28.07 9.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 47' ' ' CYS . 1.3 m80 -99.56 27.08 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 109.597 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.405 ' O ' ' O ' ' A' ' 46' ' ' HIS . 5.6 p -61.32 -119.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -149.99 -46.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.039 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.97 -48.51 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.55 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.8 t -59.71 -47.05 87.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.2 mt -57.88 -25.67 61.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.55 -59.65 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 148.3 44.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.35 -168.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.751 . . . . 0.0 109.252 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 5.2 mtmm -144.46 -171.34 3.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -92.83 113.52 25.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.589 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 116.0 4.1 19.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.423 ' HB2' ' CG2' ' A' ' 40' ' ' VAL . 3.4 m-20 -50.85 113.01 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.271 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 88.0 m-85 -88.82 97.31 11.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 111.058 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.9 mt -50.7 95.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' TYR . 2.9 p -87.61 -27.93 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 68.2 m -161.35 167.95 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.1 mt -150.23 108.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.18 2.76 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.04 14.3 12.27 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.421 ' O ' ' CB ' ' A' ' 62' ' ' SER . 4.3 p -86.59 -178.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.32 94.99 5.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 48.4 m -108.47 38.44 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.262 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -96.56 -17.72 20.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -113.59 -40.41 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.453 ' CD1' HD11 ' A' ' 79' ' ' LEU . 14.6 mt -40.71 152.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.4 p -94.05 -144.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.9 t -88.86 -46.53 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -61.24 -52.65 63.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.46 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 79' ' ' LEU . 78.8 t -42.45 -57.35 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 76' ' ' VAL . 1.7 mmt -37.3 -48.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -45.45 72.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.455 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -53.54 -30.69 43.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' CD2' HG22 ' A' ' 23' ' ' VAL . 5.1 mt -83.23 -45.18 14.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -56.82 -49.93 73.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -47.69 -35.81 10.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.473 ' HB3' ' CG1' ' A' ' 88' ' ' VAL . 21.9 m-85 -100.12 39.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.02 128.5 11.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.32 28.76 73.93 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -134.01 122.95 23.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 110.255 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.17 116.31 3.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 16.4 m -125.56 165.76 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -110.63 100.76 9.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.573 ' HE1' ' CE1' ' A' ' 21' ' ' PHE . 32.1 ttp -91.65 131.44 37.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.72 136.57 50.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.498 HG21 ' CG ' ' A' ' 17' ' ' ARG . 27.3 m -138.48 140.89 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -118.17 143.34 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.61 137.13 33.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.571 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -73.34 104.66 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 mp -75.73 -166.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -176.91 153.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -46.3 166.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.5 m -106.84 116.75 32.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.31 135.52 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.86 119.58 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.16 164.46 37.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -175.75 134.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.152 . . . . 0.0 109.599 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -124.12 149.73 45.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.93 144.87 22.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.95 150.14 22.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -153.96 97.01 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.68 5.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.5 p -167.03 168.74 13.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.8 m 59.64 155.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.8 p -108.6 122.28 46.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.989 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.91 152.76 41.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.87 -157.2 14.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.88 112.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.85 141.74 32.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.6 -159.85 10.68 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.1 p -79.44 157.35 27.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.59 90.36 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 p -171.5 149.39 2.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.959 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -69.61 155.1 41.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -138.67 124.79 20.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.441 ' CZ2' ' HG ' ' A' ' 95' ' ' LEU . 39.9 m95 -113.22 128.25 56.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 107.993 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.552 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.8 OUTLIER -64.1 -178.75 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -75.02 147.27 33.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 141.72 27.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.523 1.801 . . . . 0.0 111.038 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.474 ' CD ' ' CG2' ' A' ' 92' ' ' VAL . 11.8 ptp180 -91.7 155.85 18.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.15 105.95 2.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 9.1 mt -100.26 152.34 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.419 ' N ' HG21 ' A' ' 19' ' ' ILE . 0.1 OUTLIER -140.52 111.27 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.586 ' CE1' ' HE1' ' A' ' 90' ' ' MET . 28.1 p90 -154.65 175.91 13.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -113.13 123.3 49.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.24 128.9 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mp0 -81.33 -3.74 53.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 24' ' ' GLU . 2.0 pt-20 30.46 56.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.8 45.57 0.3 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 0.6 OUTLIER 173.31 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.2 mt -79.76 137.23 36.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.423 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -90.6 35.07 3.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -170.35 172.77 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -136.55 177.36 7.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.53 ' N ' ' OG1' ' A' ' 31' ' ' THR . 79.1 mt -116.87 131.85 56.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -137.94 152.29 48.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.52 -177.04 38.83 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -85.9 -86.04 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.757 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.527 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.6 t -166.67 139.19 3.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.98 133.06 29.71 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.013 -0.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.444 ' N ' ' HA ' ' A' ' 36' ' ' THR . 28.8 m -56.67 153.65 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -100.68 175.3 5.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.9 t -116.21 105.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' PHE . 38.5 t60 -97.11 68.99 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.571 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 41' ' ' HIS . 1.2 m-85 -37.09 140.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.412 ' CD1' HG23 ' A' ' 31' ' ' THR . 40.3 mt -115.22 -41.18 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.91 123.8 28.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.09 9.33 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -126.6 55.16 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.423 ' CB ' ' HA3' ' A' ' 29' ' ' GLY . 25.4 p -122.05 159.7 26.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 108.353 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -45.74 -63.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.96 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -39.6 -66.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 t -51.63 -50.37 60.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.958 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.4 mt -57.16 -21.71 34.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 49' ' ' ALA . . . -67.91 -52.46 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.28 42.99 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.469 ' O ' ' CG ' ' A' ' 55' ' ' LYS . . . -96.75 -165.46 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.29 156.35 16.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.24 120.48 14.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.613 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 115.11 1.69 22.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 90.8 m-20 -61.9 130.87 47.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.613 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 54.1 m-85 -104.82 97.17 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.444 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 26.6 mt -48.3 99.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.0 p -88.83 -43.32 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 3.0 m -152.75 165.0 36.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 55.3 mt -143.89 114.1 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 71.66 5.61 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.22 12.68 24.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.475 ' CG1' HD21 ' A' ' 79' ' ' LEU . 23.7 t -103.41 134.0 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.34 122.89 15.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 14.4 m -127.38 5.13 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 108.338 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -82.05 -9.76 59.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -108.71 -34.49 6.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 108.019 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.62 165.04 3.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.5 p -97.17 -146.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 32' ' ' LEU . 39.5 t -90.31 -35.26 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.68 -57.89 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -43.28 -52.87 5.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' LEU . 79.2 t -58.71 -57.23 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.5 mmt -41.53 -37.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.44 -43.33 56.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -61.31 -26.36 67.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.8 mt -84.5 -45.37 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -62.05 -47.03 86.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -47.04 -31.72 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 19.5 m-85 -100.02 40.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.44 ' CA ' ' HB3' ' A' ' 25' ' ' GLU . . . -62.82 117.74 12.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 52.38 44.8 58.74 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' GLU . 32.8 mt-10 -122.54 -4.26 8.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 86' ' ' GLU . 3.7 tt0 58.51 116.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.496 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 2.6 m -135.69 178.75 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 19' ' ' ILE . 3.3 mt-10 -121.67 107.25 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.237 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.586 ' HE1' ' CE1' ' A' ' 21' ' ' PHE . 8.0 ttp -91.38 131.05 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.35 135.62 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.474 ' CG2' ' CD ' ' A' ' 17' ' ' ARG . 30.1 m -138.24 144.05 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.27 140.77 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.11 135.06 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.586 HD13 ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -73.21 112.65 9.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.5 mp -91.97 10.12 30.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.459 ' HB3' ' CD2' ' A' ' 95' ' ' LEU . 5.1 t70 -104.89 161.13 14.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.65 -60.12 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 m 47.09 96.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.42 -53.86 5.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.1 62.33 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.959 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -96.29 140.96 30.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 147.57 50.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.561 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -146.1 122.03 10.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.248 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.25 165.12 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.5 p -110.45 157.13 19.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.67 -170.55 0.27 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 112.23 3.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.536 1.808 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.2 92.14 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.24 -74.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.54 79.11 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.059 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.78 161.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.64 169.66 37.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 p -128.35 168.71 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.033 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 p -55.45 157.28 3.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.94 -94.45 2.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.12 81.36 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.957 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 41.94 80.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -98.26 133.91 42.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.83 136.43 56.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.72 145.6 49.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CH2' ' HG ' ' A' ' 95' ' ' LEU . 39.8 m95 -123.92 142.54 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.503 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -74.52 177.98 1.94 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.503 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.94 148.46 35.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.7 35.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' CG ' HG21 ' A' ' 92' ' ' VAL . 1.6 ptp85 -112.59 130.84 55.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.21 103.48 2.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 20' ' ' HIS . 9.7 mt -92.29 151.09 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.407 ' N ' HG23 ' A' ' 19' ' ' ILE . 1.8 p-80 -135.02 110.37 9.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.416 ' CE1' ' HE1' ' A' ' 90' ' ' MET . 34.0 p90 -157.07 176.5 12.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -116.78 107.99 15.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.47 HG11 ' N ' ' A' ' 24' ' ' GLU . 66.5 t -42.19 145.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.47 ' N ' HG11 ' A' ' 23' ' ' VAL . 1.6 mt-10 -105.5 96.16 6.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.76 53.87 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.3 -37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -149.52 79.06 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.8 mt -54.04 -38.81 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 86.1 3.21 85.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -162.4 160.72 26.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -124.39 176.77 6.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.521 ' N ' ' OG1' ' A' ' 31' ' ' THR . 83.0 mt -118.77 136.85 53.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.485 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 27.0 mtp85 -86.85 152.68 22.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.272 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -73.29 112.86 4.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 1.3 m120 153.3 -176.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.526 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.9 p -153.55 132.79 7.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -74.97 130.65 21.82 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.006 -0.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 29.0 m -47.13 160.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 57' ' ' GLY . 29.2 mt-30 -117.1 164.09 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.5 t -101.1 117.86 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -103.7 63.85 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -39.55 133.13 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.6 mt -111.28 -35.34 5.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.21 123.08 24.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.06 8.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -132.34 40.16 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 48' ' ' SER . 11.9 p -90.09 -48.56 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 1.0 OUTLIER 158.32 -67.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -40.41 -45.53 2.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -45.63 91.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' SER . 1.3 mt -66.26 -28.97 69.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 48' ' ' SER . . . -63.07 -60.71 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.83 43.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -119.65 171.75 8.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.261 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -139.31 -178.04 5.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -83.43 148.02 27.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.584 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 79.46 -1.16 78.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -51.96 134.12 32.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 20.0 m-85 -105.36 99.63 9.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' CYS . 2.7 mt -60.73 131.56 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 68' ' ' CYS . 4.1 m -112.08 -37.55 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.6 m -149.97 155.46 40.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.409 ' O ' HG11 ' A' ' 66' ' ' VAL . 50.1 mt -133.08 99.54 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER 77.25 -1.85 2.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.71 -29.48 3.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 79' ' ' LEU . 4.4 p -50.37 177.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.55 101.01 8.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' VAL . 62.9 m -113.29 54.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.03 -27.76 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.413 ' O ' ' C ' ' A' ' 71' ' ' LEU . 39.8 m95 -112.6 -36.41 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 70' ' ' TRP . 25.2 mt -39.78 152.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.5 p -91.83 -159.93 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 6.7 t -74.34 -48.17 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 t -55.57 -64.06 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -42.11 -58.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.1 t -56.65 -51.25 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.5 mmt -49.35 -46.52 47.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -39.01 70.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -61.5 -34.41 75.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 mt -83.45 -46.7 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -52.12 -52.43 51.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.2 t -45.86 -39.7 8.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.98 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -88.75 34.57 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -67.84 125.28 22.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.76 25.34 75.21 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -130.55 123.66 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.01 124.68 21.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.0 m -130.88 179.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -123.36 101.19 7.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.416 ' HE1' ' CE1' ' A' ' 21' ' ' PHE . 30.4 ttp -91.96 138.62 31.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.29 128.31 54.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.493 HG21 ' CG ' ' A' ' 17' ' ' ARG . 16.9 m -128.5 148.91 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.92 160.4 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.06 148.61 24.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.559 ' HG ' ' CH2' ' A' ' 13' ' ' TRP . 0.7 OUTLIER -97.74 112.8 24.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -90.09 -167.27 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 t0 171.66 161.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -49.18 162.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.2 t -121.71 26.52 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -85.79 157.04 20.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.6 t -166.5 151.2 7.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.979 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.9 mtt 58.05 161.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.93 114.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.45 -57.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.07 154.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.4 p -130.59 170.53 14.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.23 157.52 40.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 157.15 43.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.44 133.71 55.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.955 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.64 -58.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.453 ' CZ2' HD13 ' A' ' 95' ' ' LEU . 36.4 m95 -106.05 149.65 26.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.015 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.488 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -76.81 177.31 2.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.016 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.96 150.25 38.07 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.4 Cg_endo -75.0 132.94 15.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -88.62 167.67 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.46 102.9 0.99 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.867 HD13 ' HB2' ' A' ' 54' ' ' ALA . 7.4 mt -96.89 154.16 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.39 110.45 6.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.572 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 33.3 p90 -157.13 177.41 11.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -118.25 108.06 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.457 HG22 HD22 ' A' ' 80' ' ' LEU . 38.5 t -40.65 159.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 6.6 mm-40 -127.9 105.22 8.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.86 53.94 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.46 -40.96 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -153.09 89.19 1.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 0.736 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD21 HG13 ' A' ' 23' ' ' VAL . 66.2 mt -64.67 -28.65 69.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 82.54 -2.54 85.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -149.17 171.73 15.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 0.786 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -135.49 176.69 8.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.593 ' HB2' HG13 ' A' ' 73' ' ' VAL . 57.4 mt -125.08 119.56 28.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -117.27 165.45 13.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.64 -161.87 31.26 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.4 OUTLIER -109.98 -69.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.56 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.1 t -174.96 140.4 0.65 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -74.98 131.94 25.89 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.995 -0.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.469 ' N ' ' HA ' ' A' ' 36' ' ' THR . 20.7 m -50.55 150.69 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.595 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 20.4 mt-30 -115.43 167.71 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.9 t -100.75 113.6 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -103.56 65.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.605 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 3.8 m-85 -40.35 123.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 43' ' ' LEU . 18.6 mt -107.14 -28.53 9.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.07 134.13 25.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -31.29 6.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -93.56 26.36 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.589 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.731 ' O ' HD12 ' A' ' 51' ' ' LEU . 7.9 p -63.2 -123.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.61 -58.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.649 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -49.94 -49.36 50.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.533 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.8 t -58.78 -52.01 67.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 47' ' ' CYS . 29.4 mt -53.44 -29.46 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -63.42 -58.86 5.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.26 44.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.041 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.867 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -111.29 -172.8 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.781 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -144.31 -171.59 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.62 163.21 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.456 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 57.64 15.93 20.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -68.49 120.45 14.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 0.737 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.595 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 71.4 m-85 -93.34 107.3 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.7 mt -63.77 135.97 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 91' ' ' LYS . 5.3 m -113.5 -36.18 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 34.8 m -154.58 157.83 38.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.45 HD13 ' HG ' ' A' ' 80' ' ' LEU . 92.5 mt -136.31 102.4 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 74.61 8.12 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.25 -21.87 9.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.949 HG11 HD21 ' A' ' 79' ' ' LEU . 75.3 t -63.82 154.9 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.75 120.34 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.7 m -133.38 53.09 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 108.32 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.45 -32.38 6.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -102.24 -35.85 8.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 107.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.429 ' CD1' HD13 ' A' ' 79' ' ' LEU . 14.2 mt -42.32 154.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.5 p -98.05 -147.28 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.593 HG13 ' HB2' ' A' ' 32' ' ' LEU . 50.5 t -85.4 -48.93 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 t -55.77 -53.91 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.78 -68.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 79' ' ' LEU . 56.0 t -44.45 -59.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.4 mmt -39.03 -45.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -72.61 -41.91 65.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.949 HD21 HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -60.75 -26.17 67.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.457 HD22 HG22 ' A' ' 23' ' ' VAL . 5.0 mt -87.18 -46.9 9.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -54.34 -50.49 67.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.5 t -45.12 -45.02 10.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.624 ' HB3' HG11 ' A' ' 88' ' ' VAL . 26.9 m-85 -88.95 44.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.48 129.36 9.9 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.34 30.02 75.9 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.698 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.2 mt-10 -135.31 123.84 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.78 110.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 86' ' ' GLU . 13.3 m -115.15 171.7 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -119.11 103.67 9.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.443 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 27.1 ttp -92.1 138.04 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.497 ' O ' HG22 ' A' ' 61' ' ' VAL . 2.7 mptt -119.71 128.73 54.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 18.6 m -128.39 154.61 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.446 HG22 HG13 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -130.69 143.26 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -85.33 144.12 28.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.453 HD13 ' CZ2' ' A' ' 13' ' ' TRP . 35.2 tp -99.07 128.24 45.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -132.42 136.18 46.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 107.964 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -66.03 176.97 0.83 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.02 147.0 33.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.06 137.15 21.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 92' ' ' VAL . 9.7 ptp180 -102.25 151.28 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.53 109.21 3.8 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.555 HD13 ' HB2' ' A' ' 54' ' ' ALA . 6.1 mt -100.51 152.73 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.76 111.16 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.637 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.725 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 33.8 p90 -156.66 174.9 14.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -115.91 112.66 22.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 34.6 t -43.52 164.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.487 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.5 mt-10 -132.65 97.64 4.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.11 54.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.84 -38.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.086 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -156.09 89.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.759 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.3 mt -66.58 -38.23 86.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.99 0.53 68.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -153.47 173.41 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 0.755 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.522 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -134.91 176.5 8.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB2' HG13 ' A' ' 73' ' ' VAL . 84.4 mt -119.73 114.04 21.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 mtt-85 -107.86 166.67 10.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.28 -174.08 54.43 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -95.96 -67.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.552 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.2 t -177.78 139.21 0.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.04 131.9 25.77 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.958 -2.517 . . . . 0.0 110.976 0.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.477 ' N ' ' HA ' ' A' ' 36' ' ' THR . 31.7 m -50.1 170.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 58' ' ' ASP . 5.1 mt-30 -125.97 175.21 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.5 t -111.18 101.77 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -94.69 72.6 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.621 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.431 ' HE1' ' HB3' ' A' ' 49' ' ' ALA . 3.6 m-85 -49.33 131.11 20.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.2 mt -110.03 -32.26 7.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.05 127.11 26.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -8.94 20.5 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.534 1.807 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -131.87 65.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.697 ' O ' HD12 ' A' ' 51' ' ' LEU . 1.2 p -108.59 -105.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -143.75 -67.45 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.55 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -43.59 -51.77 6.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.55 -58.01 9.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 47' ' ' CYS . 21.5 mt -46.75 -48.5 20.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.725 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -40.49 -67.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.47 42.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.555 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -114.13 172.78 6.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -149.96 160.36 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -59.13 138.15 57.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.465 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 94.19 18.75 35.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.492 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 77.2 m-20 -85.52 127.1 34.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.84 ' CE2' HD12 ' A' ' 95' ' ' LEU . 15.0 m-85 -103.14 102.82 12.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.594 HG21 HD11 ' A' ' 63' ' ' ILE . 2.7 mp -54.59 127.3 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 91' ' ' LYS . 7.0 m -113.99 -36.54 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 1.3 p -142.04 169.2 18.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.594 HD11 HG21 ' A' ' 60' ' ' ILE . 18.2 mt -156.1 95.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.432 ' HG3' HG12 ' A' ' 88' ' ' VAL . 1.4 mm-40 71.22 33.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.46 16.29 71.59 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.698 HG11 HD21 ' A' ' 79' ' ' LEU . 97.6 t -100.75 160.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.421 ' N ' HG12 ' A' ' 66' ' ' VAL . 2.2 t0 -87.06 118.93 26.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.669 ' SG ' HD22 ' A' ' 79' ' ' LEU . 90.0 m -138.89 50.43 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 108.319 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.66 -34.32 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -99.44 -32.85 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.586 ' CD1' HD13 ' A' ' 79' ' ' LEU . 23.9 mt -44.18 154.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 48.0 p -94.59 -155.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.375 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.56 HG13 ' HB2' ' A' ' 32' ' ' LEU . 76.0 t -78.62 -46.62 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 t -59.85 -53.05 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.17 -69.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' LEU . 48.3 t -43.39 -58.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -39.94 -58.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -62.61 -33.32 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.698 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -67.83 -30.46 69.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 76' ' ' VAL . 3.2 mt -84.54 -45.16 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -55.8 -50.63 69.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 t -44.53 -45.19 9.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.516 ' HB3' HG11 ' A' ' 88' ' ' VAL . 18.7 m-85 -89.22 37.83 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' A' ' 23' ' ' VAL . . . -70.92 125.97 13.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.17 31.39 69.15 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.699 ' O ' HG13 ' A' ' 88' ' ' VAL . 6.5 mt-10 -139.48 121.68 15.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -56.67 119.91 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 86' ' ' GLU . 18.0 m -126.15 164.41 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -110.37 98.63 7.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.514 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 22.6 ttp -93.45 132.92 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.638 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -108.93 131.63 54.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 17' ' ' ARG . 23.9 m -126.26 155.46 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.18 161.79 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 m -103.76 142.23 34.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.84 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.5 OUTLIER -93.68 117.68 30.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 96' ' ' LEU . 1.6 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.567 ' CZ3' ' HG ' ' A' ' 95' ' ' LEU . 68.2 m95 -105.9 152.09 23.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.64 172.4 9.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -75.01 148.99 36.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.4 Cg_endo -74.96 132.27 15.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HD2' HD11 ' A' ' 19' ' ' ILE . 8.9 ptp180 -95.48 169.35 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.32 105.25 1.52 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.676 HD13 ' HB2' ' A' ' 54' ' ' ALA . 11.0 mt -100.24 151.47 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.48 110.74 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.567 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.45 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 32.9 p90 -156.87 172.36 18.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -111.4 127.03 55.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.601 ' CG2' HD22 ' A' ' 80' ' ' LEU . 25.1 t -68.37 164.26 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.478 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 3.7 mt-10 -128.95 87.83 2.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.24 60.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -172.8 -38.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -162.45 94.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.481 HD21 HG13 ' A' ' 23' ' ' VAL . 80.1 mt -71.37 146.0 49.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -87.45 12.71 62.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -160.98 153.91 21.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.515 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -113.8 176.76 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.562 HD12 ' HG2' ' A' ' 77' ' ' MET . 11.0 mt -129.35 150.02 50.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -146.51 165.58 29.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.48 -169.86 38.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -101.35 -67.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.554 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.7 t -178.5 139.81 0.38 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 132.0 26.1 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.028 -2.488 . . . . 0.0 111.011 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' N ' ' HA ' ' A' ' 36' ' ' THR . 17.3 m -49.52 146.75 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.608 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 63.4 mt-30 -112.48 133.51 54.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -69.84 117.03 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -106.62 77.78 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.604 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 1.5 m-85 -39.11 120.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.929 ' O ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -114.94 -34.5 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.72 132.46 23.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -90.55 36.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.578 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.625 ' O ' HD12 ' A' ' 51' ' ' LEU . 10.3 p -70.97 -125.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 108.335 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.5 p -138.88 -57.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.0 -40.5 44.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.554 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 7.0 t -67.62 -41.21 84.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.056 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 47' ' ' CYS . 29.1 mt -69.12 -17.79 63.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -80.75 -55.08 5.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.416 ' O ' ' NH1' ' A' ' 17' ' ' ARG . . . 145.47 45.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.676 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -105.94 165.39 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -122.54 -175.15 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.83 147.59 23.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.573 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 73.07 15.42 78.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -64.33 127.4 31.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.608 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 44.1 m-85 -99.12 107.48 19.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.58 HG21 HD11 ' A' ' 63' ' ' ILE . 23.6 mt -60.43 129.29 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 91' ' ' LYS . 8.3 m -113.33 -33.34 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.479 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 1.7 p -145.45 168.55 20.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.58 HD11 HG21 ' A' ' 60' ' ' ILE . 14.0 mt -155.68 94.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 70.4 33.88 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.31 27.39 48.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.589 HG11 HD21 ' A' ' 79' ' ' LEU . 98.7 t -112.03 162.83 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.463 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.7 OUTLIER -89.99 118.88 29.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.432 ' SG ' HD12 ' A' ' 71' ' ' LEU . 59.9 m -138.87 50.81 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.88 -34.37 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -101.56 -23.16 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 107.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.432 HD12 ' SG ' ' A' ' 68' ' ' CYS . 13.4 mt -54.25 158.11 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.9 p -103.0 -159.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.457 ' HA ' HG11 ' A' ' 38' ' ' VAL . 85.4 t -72.27 -52.09 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -59.39 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.87 -71.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' LEU . 48.6 t -40.84 -62.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.562 ' HG2' HD12 ' A' ' 32' ' ' LEU . 1.9 mmt -37.67 -56.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -63.05 -39.69 95.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.589 HD21 HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -60.45 -31.84 70.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.601 HD22 ' CG2' ' A' ' 23' ' ' VAL . 5.6 mt -83.72 -46.32 12.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' GLY . 6.5 mttm -51.65 -51.79 53.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.1 t -43.23 -43.21 4.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.534 ' HB3' HG11 ' A' ' 88' ' ' VAL . 21.4 m-85 -90.94 39.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -72.73 128.24 12.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.16 18.84 78.22 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.613 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.7 mt-10 -130.2 124.21 32.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 3.3 tt0 -60.2 122.25 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 86' ' ' GLU . 12.7 m -124.21 164.97 21.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.03 99.17 8.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.475 ' HE2' ' HB3' ' A' ' 90' ' ' MET . 27.0 ttp -93.64 126.71 38.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.543 ' O ' HG22 ' A' ' 61' ' ' VAL . 5.5 mttt -105.17 133.9 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.523 HG22 ' CG ' ' A' ' 17' ' ' ARG . 27.2 m -129.79 153.8 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.433 HG12 ' C ' ' A' ' 15' ' ' PRO . 3.7 m -129.68 141.72 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -86.97 143.81 27.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.578 HD12 ' OH ' ' A' ' 59' ' ' TYR . 1.6 mt -88.93 131.6 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.702 ' CH2' HD11 ' A' ' 95' ' ' LEU . 55.1 m95 -130.29 138.54 50.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -76.24 179.13 1.6 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 148.07 34.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.04 131.33 14.12 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 110.963 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.677 ' HD2' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -91.33 161.1 15.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.75 105.68 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.799 HD13 ' HB2' ' A' ' 54' ' ' ALA . 3.5 mt -99.75 151.68 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.49 111.13 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.588 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.475 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 35.9 p90 -156.82 176.98 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.13 113.41 24.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG22 HD22 ' A' ' 80' ' ' LEU . 24.7 t -47.37 165.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.564 ' HB2' HD23 ' A' ' 28' ' ' LEU . 2.5 mt-10 -129.27 81.81 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.21 61.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -175.95 -38.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -159.09 105.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.242 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' A' ' 24' ' ' GLU . 98.2 mt -94.05 145.02 24.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.57 26.71 14.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -171.22 165.95 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -132.96 176.92 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.729 ' HB2' HG13 ' A' ' 73' ' ' VAL . 33.6 mt -118.97 116.92 27.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -114.58 154.37 28.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.96 -162.85 25.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -107.32 -69.71 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.557 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -175.61 139.94 0.58 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.02 132.31 27.16 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.967 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.515 HG23 HD12 ' A' ' 60' ' ' ILE . 33.8 m -52.58 164.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 12.3 mt-30 -119.7 -174.03 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.62 108.88 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' PHE . 27.2 t60 -103.85 78.13 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 5.1 m-85 -37.14 137.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.8 mt -111.45 -31.05 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -132.73 140.67 38.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -38.82 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.77 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -92.35 30.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.58 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.44 ' SG ' ' CB ' ' A' ' 50' ' ' SER . 32.1 p -69.28 -139.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -117.96 -71.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -39.5 -58.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.561 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 8.5 t -47.29 -42.03 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.19 -36.87 84.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -56.89 -61.95 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.77 43.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.799 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -113.55 152.75 29.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -115.86 -173.85 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.6 142.03 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.602 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 83.33 20.49 60.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 46.4 m-20 -76.03 129.32 36.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 0.785 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 27.6 m-85 -104.5 104.88 14.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.515 HD12 HG23 ' A' ' 38' ' ' VAL . 3.3 mt -57.84 130.31 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.444 HG13 HG22 ' A' ' 93' ' ' VAL . 15.3 m -111.64 -32.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 57.2 m -156.44 162.81 39.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.486 HD11 HG21 ' A' ' 60' ' ' ILE . 23.9 mt -146.04 104.09 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 70.51 29.29 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.36 -0.36 77.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.821 HG11 HD21 ' A' ' 79' ' ' LEU . 63.8 t -83.21 152.12 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.9 118.13 23.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 96.7 m -135.07 50.05 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.9 -32.53 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -104.3 -33.14 8.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 107.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 mt -42.95 148.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.431 HG23 ' OE1' ' A' ' 75' ' ' GLU . 68.7 p -88.92 -157.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.729 HG13 ' HB2' ' A' ' 32' ' ' LEU . 51.0 t -80.27 -41.1 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.5 t -64.66 -48.62 74.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.431 ' OE1' HG23 ' A' ' 72' ' ' THR . 1.9 mt-10 -53.68 -65.24 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' LEU . 55.2 t -48.29 -52.84 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.59 ' HG2' HD12 ' A' ' 32' ' ' LEU . 4.0 mmt -47.05 -42.56 18.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -75.26 -24.79 57.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.821 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -78.47 -27.4 46.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.529 HD22 HG22 ' A' ' 23' ' ' VAL . 6.5 mt -87.05 -47.51 8.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -53.42 -50.88 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -46.13 -44.27 15.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.605 ' HB3' HG11 ' A' ' 88' ' ' VAL . 13.5 m-30 -88.97 38.15 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.33 128.24 15.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.42 27.03 73.49 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.712 ' O ' HG13 ' A' ' 88' ' ' VAL . 4.9 mt-10 -133.27 123.29 25.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -59.03 116.38 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 86' ' ' GLU . 10.6 m -122.3 174.2 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.74 98.88 6.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.518 ' SD ' HG13 ' A' ' 92' ' ' VAL . 0.6 OUTLIER -92.24 142.16 27.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 4.9 mptt -116.18 134.96 54.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.518 HG13 ' SD ' ' A' ' 90' ' ' MET . 23.5 m -133.76 147.54 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.444 HG22 HG13 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -121.61 149.79 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -92.67 142.45 27.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.702 HD11 ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -96.54 128.45 43.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.689 ' CH2' ' CD1' ' A' ' 95' ' ' LEU . 37.5 m95 -129.1 128.78 44.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 108.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.523 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -60.93 179.07 0.24 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.01 147.61 34.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.542 1.812 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.539 ' HA ' HG13 ' A' ' 93' ' ' VAL . 18.3 Cg_endo -75.01 138.12 22.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.536 ' CG ' HG22 ' A' ' 92' ' ' VAL . 10.3 ptm180 -99.01 161.25 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.32 112.46 3.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.715 HD13 ' HB2' ' A' ' 54' ' ' ALA . 9.8 mt -103.19 153.72 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.21 110.47 6.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.503 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 28.2 p90 -156.94 172.01 19.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -111.68 114.0 26.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 33.8 t -51.31 164.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.48 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 2.3 mt-10 -130.3 85.69 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.47 59.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -170.81 -39.92 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -157.94 102.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -85.33 146.23 27.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.94 24.36 26.84 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -170.83 168.08 7.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.548 HG22 HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -133.44 176.71 8.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.705 ' HB2' HG13 ' A' ' 73' ' ' VAL . 73.5 mt -123.5 123.59 40.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.75 155.37 39.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.8 -164.81 20.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.15 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -103.3 -67.49 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.563 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER 178.8 141.16 0.28 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -75.0 132.54 27.92 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.033 -0.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.463 ' N ' ' HA ' ' A' ' 36' ' ' THR . 22.3 m -55.52 149.42 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.555 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 58.8 mt-30 -106.16 -174.15 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 58' ' ' ASP . 94.8 t -123.13 109.98 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -99.88 71.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.641 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 3.3 m-85 -37.54 134.85 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.548 HD11 HG22 ' A' ' 31' ' ' THR . 58.5 mt -111.37 -39.03 4.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -116.0 137.01 23.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.241 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.28 3.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.417 ' O ' ' O ' ' A' ' 47' ' ' CYS . 24.4 m80 -98.36 30.66 3.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.596 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.482 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.0 p -61.4 -118.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -147.73 -46.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.575 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -61.07 -46.82 89.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.498 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.7 t -61.68 -44.41 97.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.019 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 47' ' ' CYS . 44.6 mt -63.64 -19.7 65.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -74.55 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.484 ' O ' ' CZ ' ' A' ' 17' ' ' ARG . . . 154.99 44.08 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.715 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -119.59 150.9 39.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.797 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' OD2' ' A' ' 58' ' ' ASP . 13.0 mtmt -114.01 -171.54 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.04 148.37 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.539 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 70.92 22.36 78.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.548 ' O ' HG23 ' A' ' 40' ' ' VAL . 42.5 m-20 -72.29 123.09 22.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CE2' HD12 ' A' ' 95' ' ' LEU . 49.1 m-85 -96.55 109.14 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.543 HG21 HD11 ' A' ' 63' ' ' ILE . 4.1 mt -62.65 128.52 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.6 m -110.37 -33.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.476 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -149.25 171.02 17.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.543 HD11 HG21 ' A' ' 60' ' ' ILE . 19.2 mt -155.66 100.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 71.2 24.09 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.33 29.2 22.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.023 HG11 HD21 ' A' ' 79' ' ' LEU . 78.7 t -113.74 156.05 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -76.33 117.85 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.7 m -140.46 46.33 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 108.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.31 -31.12 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -104.99 -32.41 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.008 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.9 mt -44.3 152.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 p -93.91 -162.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 32' ' ' LEU . 39.3 t -72.49 -43.81 62.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.9 t -60.21 -57.76 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.36 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 79' ' ' LEU . 74.7 t -42.29 -56.78 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.9 mmt -43.46 -39.35 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -77.3 -38.67 50.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.023 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -64.78 -24.33 67.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.473 HD22 ' CG2' ' A' ' 23' ' ' VAL . 6.5 mt -87.67 -46.98 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -54.7 -50.2 68.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.1 t -47.11 -30.28 2.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 17.9 m-85 -104.94 38.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.78 129.22 15.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.12 17.84 74.23 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.525 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.8 mt-10 -126.67 128.93 47.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 3.7 tt0 -64.05 121.47 14.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 83' ' ' PHE . 11.5 m -126.11 169.46 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -114.54 99.98 7.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.468 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 37.2 ttp -92.19 133.85 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 7.4 mptt -107.65 136.55 47.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.536 HG22 ' CG ' ' A' ' 17' ' ' ARG . 26.9 m -133.79 162.7 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.539 HG13 ' HA ' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -146.24 173.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -113.72 145.98 40.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.689 ' CD1' ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -89.78 119.76 30.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.5 m95 -134.4 136.64 43.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.019 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -74.77 179.12 1.43 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.95 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 149.16 36.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.01 129.65 12.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HG2' HG23 ' A' ' 92' ' ' VAL . 13.5 ptp180 -92.07 151.64 20.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.39 106.57 3.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.903 HD13 ' HB2' ' A' ' 54' ' ' ALA . 7.5 mt -95.86 151.63 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -138.1 110.46 7.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.47 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 34.0 p90 -157.0 177.04 11.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -118.14 109.04 15.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 40.5 t -42.91 164.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.468 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.2 mt-10 -133.87 103.86 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.5 52.48 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.33 -41.26 0.03 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -152.3 93.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.61 -34.78 70.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 84.74 -1.4 88.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -152.55 165.42 35.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 111.047 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -131.15 176.87 7.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.389 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.519 ' N ' ' OG1' ' A' ' 31' ' ' THR . 66.1 mt -120.09 119.56 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -115.36 167.28 11.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.03 178.77 51.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -88.42 -74.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.537 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -173.65 138.58 0.76 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.03 132.24 26.91 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.983 0.058 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' N ' ' HA ' ' A' ' 36' ' ' THR . 24.6 m -50.91 173.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 58' ' ' ASP . 6.7 mt-30 -128.09 172.08 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.5 t -104.67 103.17 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -95.7 67.74 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.594 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -49.55 138.67 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -111.7 -42.1 3.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.06 142.14 24.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -20.05 17.35 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -127.4 61.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.63 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 48' ' ' SER . 12.3 p -91.71 -48.49 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER 159.77 -73.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -43.02 -51.78 5.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.3 -38.98 66.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' SER . 5.8 mt -70.52 -26.97 63.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -67.46 -59.38 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.82 43.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.903 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -120.38 178.75 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -154.72 -175.6 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.95 165.68 22.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.545 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 66.43 10.51 53.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 68.1 m-20 -76.98 127.26 32.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 37.3 m-85 -100.07 114.66 28.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.0 mt -65.25 131.18 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.7 m -113.45 -38.41 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 48.1 m -160.1 161.23 33.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.4 mt -138.02 118.0 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.9 -57.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.91 37.82 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.122 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 62' ' ' SER . 75.3 t -126.38 157.58 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.582 0.813 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.78 123.62 28.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.9 m -136.68 48.87 2.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.32 -28.42 8.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -104.71 -34.01 8.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.029 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -43.87 151.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 p -91.13 -158.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.458 HG13 ' HB2' ' A' ' 32' ' ' LEU . 21.7 t -75.85 -45.26 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -61.65 -58.68 7.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.63 -65.21 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' LEU . 84.4 t -51.4 -60.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -38.3 -40.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -74.56 -46.26 40.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -59.29 -22.72 61.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.34 -46.57 9.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -56.82 -48.51 77.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.9 t -46.2 -45.85 17.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.691 ' HB3' HG11 ' A' ' 88' ' ' VAL . 25.7 m-85 -89.21 45.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.12 131.41 11.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.75 72.96 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 88' ' ' VAL . 3.6 mt-10 -133.26 125.64 29.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.41 111.65 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.691 HG11 ' HB3' ' A' ' 83' ' ' PHE . 8.4 m -117.99 175.02 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -119.79 101.81 8.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.415 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 31.2 ttp -92.19 138.04 31.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -114.79 136.4 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.499 HG23 ' HG2' ' A' ' 17' ' ' ARG . 17.9 m -135.6 151.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.34 142.11 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -89.19 140.97 28.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.9 tp -92.33 128.69 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.657 ' CH2' HD11 ' A' ' 95' ' ' LEU . 59.3 m95 -122.84 143.14 50.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.028 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -80.89 178.37 2.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.97 151.07 39.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -74.93 129.0 12.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.551 ' CG ' HG22 ' A' ' 92' ' ' VAL . 6.9 ptp180 -89.34 164.64 14.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -113.21 114.35 3.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.123 . . . . 0.0 111.049 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.868 HD13 ' HB2' ' A' ' 54' ' ' ALA . 7.4 mt -108.49 152.28 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.797 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.34 110.79 8.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.605 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.548 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 25.3 p90 -156.72 171.08 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.37 105.54 13.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.611 HG13 HD21 ' A' ' 28' ' ' LEU . 43.1 t -40.12 155.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.517 ' H ' HD23 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -117.71 103.45 10.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.38 51.39 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.356 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.1 -39.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 111.044 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -154.87 86.79 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.611 HD21 HG13 ' A' ' 23' ' ' VAL . 72.4 mt -61.47 -41.45 97.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.35 0.18 65.44 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -153.28 166.81 31.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -127.07 179.09 5.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.539 ' N ' ' OG1' ' A' ' 31' ' ' THR . 56.3 mt -119.63 118.61 31.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.03 163.43 15.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.87 171.78 47.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.62 -70.45 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 0.732 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.514 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -176.06 136.65 0.47 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.439 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.99 132.09 26.39 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.017 0.017 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.5 HG23 HD12 ' A' ' 60' ' ' ILE . 17.6 m -51.56 178.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -130.54 169.21 15.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -104.44 115.28 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -109.26 100.07 9.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.563 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.677 ' HE1' ' HB3' ' A' ' 49' ' ' ALA . 12.2 m-85 -78.18 108.54 11.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -78.91 -32.1 45.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -126.73 138.14 31.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -17.4 19.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.032 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 47' ' ' CYS . 18.0 m80 -106.39 25.09 11.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.615 ' O ' HD12 ' A' ' 51' ' ' LEU . 4.9 p -61.43 -118.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m -143.65 -63.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.677 ' HB3' ' HE1' ' A' ' 42' ' ' PHE . . . -47.37 -53.14 14.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 t -52.85 -46.95 68.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.049 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 47' ' ' CYS . 21.9 mt -59.79 -44.0 94.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.548 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -44.89 -62.87 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.03 44.45 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.868 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -113.04 -171.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.764 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.46 -171.65 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -92.77 149.31 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 77.69 5.15 86.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.606 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 27.4 m-20 -56.9 122.68 12.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 50.3 m-85 -95.87 107.81 20.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.629 HG21 HD11 ' A' ' 63' ' ' ILE . 4.0 mt -64.4 133.25 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.431 HG12 ' CG ' ' A' ' 69' ' ' LYS . 3.1 m -115.07 -36.7 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 20.6 m -150.46 162.84 39.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.629 HD11 HG21 ' A' ' 60' ' ' ILE . 38.4 mt -149.34 99.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 68.59 46.28 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.49 -0.82 68.23 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.875 HG11 HD21 ' A' ' 79' ' ' LEU . 48.8 t -85.58 164.76 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.769 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.483 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.7 OUTLIER -99.91 121.34 41.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 57.2 m -134.11 28.91 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 108.302 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.431 ' CG ' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -96.64 -24.5 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -107.94 -33.07 7.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 107.955 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.632 ' CD1' HD13 ' A' ' 79' ' ' LEU . 18.6 mt -47.68 152.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.423 HG23 ' OE1' ' A' ' 75' ' ' GLU . 37.1 p -91.0 -144.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.524 HG13 ' HB2' ' A' ' 32' ' ' LEU . 14.4 t -88.25 -45.64 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -50.68 67.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.423 ' OE1' HG23 ' A' ' 72' ' ' THR . 0.5 OUTLIER -50.02 -67.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 79' ' ' LEU . 92.5 t -45.45 -56.32 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 76' ' ' VAL . 2.9 mmt -38.04 -49.33 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -44.41 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.875 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -57.53 -29.01 64.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -88.16 -47.94 8.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -53.78 -50.46 66.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -47.29 -44.18 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.669 ' HB3' HG11 ' A' ' 88' ' ' VAL . 22.6 m-85 -89.77 40.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.2 128.0 9.62 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.07 28.04 72.19 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.626 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.7 mt-10 -135.88 125.92 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -61.12 112.69 2.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.669 HG11 ' HB3' ' A' ' 83' ' ' PHE . 16.4 m -118.94 168.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -112.78 104.12 12.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.446 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 24.9 ttp -92.0 138.75 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' O ' HG22 ' A' ' 61' ' ' VAL . 5.0 mptt -120.97 130.97 54.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.551 HG22 ' CG ' ' A' ' 17' ' ' ARG . 35.6 m -132.87 156.32 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.432 HG12 ' C ' ' A' ' 15' ' ' PRO . 2.6 m -131.19 143.02 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 m -85.18 146.48 27.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.657 HD11 ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -98.35 118.37 34.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.573 ' CH2' HD12 ' A' ' 95' ' ' LEU . 37.1 m95 -103.19 139.49 38.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 108.0 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -71.73 179.8 0.91 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.053 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.04 149.77 37.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HA ' HG13 ' A' ' 93' ' ' VAL . 18.5 Cg_endo -74.96 138.63 23.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.504 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 23.0 mtp180 -90.91 165.4 13.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.11 99.69 0.93 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.576 1.173 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.421 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.2 mt -96.81 151.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -139.86 110.71 6.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.695 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 39.6 p90 -156.97 175.96 13.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.2 118.44 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.447 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.887 HG13 HD21 ' A' ' 28' ' ' LEU . 77.4 t -53.53 146.65 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.674 ' H ' HD23 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -112.83 109.07 18.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.17 52.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.81 -40.13 0.03 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -156.81 88.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.887 HD21 HG13 ' A' ' 23' ' ' VAL . 66.5 mt -62.91 -27.65 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 86.86 -1.83 87.0 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -153.48 169.14 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.534 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -137.64 176.79 8.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.677 ' HB2' HG13 ' A' ' 73' ' ' VAL . 48.2 mt -120.75 137.64 54.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.54 159.99 40.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.65 -159.65 23.17 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.93 -72.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.774 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.541 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -174.85 138.75 0.62 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.364 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 132.44 27.56 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.981 0.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' N ' ' HA ' ' A' ' 36' ' ' THR . 26.8 m -49.97 159.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -113.75 -179.78 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.6 t -119.2 108.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -99.8 85.64 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.562 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 1.9 m-85 -56.52 135.01 54.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 mt -115.38 -46.31 2.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -103.36 126.14 33.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.72 14.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -133.07 63.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.556 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.494 ' C ' HD12 ' A' ' 51' ' ' LEU . 6.3 p -119.03 162.49 18.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 108.295 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.4 m -50.09 -62.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.761 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -40.6 -66.98 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.415 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 8.7 t -48.53 -53.94 16.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 47' ' ' CYS . 10.6 mt -51.9 -27.58 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -66.35 -50.19 64.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.48 43.57 0.11 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.562 ' HB3' ' HZ ' ' A' ' 42' ' ' PHE . . . -105.71 165.97 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.29 168.53 19.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.36 156.03 35.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.59 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 73.89 15.76 79.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 57.7 m-20 -79.82 134.3 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 27.1 m-85 -107.32 111.64 24.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.503 HG22 ' CB ' ' A' ' 68' ' ' CYS . 66.2 mt -61.54 134.94 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.577 HG12 ' HG3' ' A' ' 69' ' ' LYS . 1.4 m -117.46 -38.16 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 3.4 m -153.36 162.37 41.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.1 mt -145.83 104.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 68.69 32.21 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.95 -15.97 61.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.713 HG11 HD21 ' A' ' 79' ' ' LEU . 79.1 t -74.02 160.58 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.404 ' N ' HG12 ' A' ' 66' ' ' VAL . 1.6 t0 -88.9 134.35 33.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.503 ' CB ' HG22 ' A' ' 60' ' ' ILE . 56.0 m -145.73 32.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.577 ' HG3' HG12 ' A' ' 61' ' ' VAL . 5.8 ttmm -103.52 -28.27 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -107.93 -20.16 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 107.981 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.5 mt -60.87 150.78 31.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.4 p -85.74 -161.57 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.677 HG13 ' HB2' ' A' ' 32' ' ' LEU . 75.3 t -76.07 -39.22 36.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -69.89 -56.9 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.62 -67.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' LEU . 66.8 t -44.81 -60.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.0 mmt -39.26 -63.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -51.47 -34.97 37.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.713 HD21 HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -67.7 -29.68 69.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 77' ' ' MET . 4.9 mt -78.26 -47.39 18.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -51.16 -52.11 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.3 t -44.2 -37.59 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.653 ' HB3' HG11 ' A' ' 88' ' ' VAL . 22.2 m-85 -98.17 38.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -71.63 125.72 11.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.094 . . . . 0.0 110.962 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.27 32.77 83.07 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.745 ' O ' HG13 ' A' ' 88' ' ' VAL . 4.4 mt-10 -136.81 123.51 21.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.94 115.0 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.745 HG13 ' O ' ' A' ' 86' ' ' GLU . 15.6 m -121.92 164.53 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -111.07 102.09 10.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.2 ttp -91.55 142.94 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 17' ' ' ARG . 1.4 mtmt -124.99 132.24 53.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 31.8 m -131.84 162.05 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -140.3 139.88 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.15 135.0 33.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.989 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.573 HD12 ' CH2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -82.74 130.26 35.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -121.05 127.3 51.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 107.987 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -63.69 178.63 0.39 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.96 147.92 34.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.459 1.768 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -74.95 147.51 34.26 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.636 ' HG3' HG22 ' A' ' 92' ' ' VAL . 2.3 ptp85 -111.19 127.53 55.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.32 103.56 2.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' A' ' 54' ' ' ALA . 2.6 mt -95.61 146.35 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.43 111.31 13.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.567 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.483 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 23.6 p90 -156.73 173.7 16.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -110.82 135.34 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.926 HG12 ' H ' ' A' ' 25' ' ' GLU . 87.5 t -67.41 135.51 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.3 mp0 -80.71 5.35 15.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.926 ' H ' HG12 ' A' ' 23' ' ' VAL . 3.4 pt-20 32.69 58.19 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 134.98 -46.44 1.04 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 1.8 m-20 -103.82 49.95 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.919 HD21 HG13 ' A' ' 23' ' ' VAL . 14.2 mt -48.2 -34.68 10.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.2 -0.02 74.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -159.74 175.02 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -134.83 177.06 8.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.685 ' HB2' HG13 ' A' ' 73' ' ' VAL . 19.0 mt -118.78 133.95 55.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -130.59 155.79 45.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.84 -159.88 20.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -110.47 -69.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.547 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -176.88 138.99 0.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.0 132.71 28.47 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.994 -2.502 . . . . 0.0 110.997 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.46 ' N ' ' HA ' ' A' ' 36' ' ' THR . 22.2 m -54.4 147.32 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.597 ' OE1' ' CE2' ' A' ' 59' ' ' TYR . 3.9 mt-30 -101.85 -173.51 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -119.09 106.27 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -93.81 65.6 3.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.585 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.509 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 1.4 m-85 -44.18 133.41 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.4 mt -116.9 -41.61 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -108.7 114.26 58.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 0.77 8.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.768 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -122.29 37.25 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.616 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.529 ' C ' HD12 ' A' ' 51' ' ' LEU . 28.3 p -101.83 159.08 15.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' ALA . 13.0 p -48.73 -58.93 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.741 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -39.31 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -47.69 -52.8 17.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.529 HD12 ' C ' ' A' ' 47' ' ' CYS . 13.4 mt -51.72 -25.72 7.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -69.77 -56.61 6.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.68 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -113.23 167.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -145.24 159.64 42.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.23 170.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.555 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 64.14 12.8 51.31 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 32.8 m-20 -81.53 133.3 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.597 ' CE2' ' OE1' ' A' ' 39' ' ' GLN . 17.3 m-85 -104.96 114.56 28.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.8 mt -65.74 128.18 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.2 m -109.83 -39.53 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 39.2 m -157.28 167.39 30.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.573 HD13 ' HG ' ' A' ' 80' ' ' LEU . 97.0 mt -141.62 114.87 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.19 -57.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.81 36.69 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.142 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' SER . 67.3 t -125.44 157.46 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.85 122.62 27.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.6 m -134.66 46.37 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 108.319 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.19 -28.39 9.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -106.44 -36.4 6.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 107.996 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.5 mt -40.45 151.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.9 p -89.58 -159.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.685 HG13 ' HB2' ' A' ' 32' ' ' LEU . 7.5 t -79.21 -32.06 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -73.09 -61.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.046 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.98 -58.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' LEU . 82.8 t -56.3 -60.56 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.584 ' HG2' HD12 ' A' ' 32' ' ' LEU . 3.8 mmt -37.99 -39.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.047 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -75.47 -47.1 28.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -57.49 -22.67 45.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HG ' HD13 ' A' ' 63' ' ' ILE . 3.9 mt -88.75 -48.62 7.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 84' ' ' GLY . 21.5 mttt -56.38 -47.27 79.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.7 t -45.57 -35.55 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 29.4 m-85 -95.77 35.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.464 ' CA ' ' HB3' ' A' ' 25' ' ' GLU . . . -60.85 126.64 41.34 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.32 35.31 90.76 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.74 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.0 mm-40 -139.16 122.97 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.2 123.38 13.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.74 HG13 ' O ' ' A' ' 86' ' ' GLU . 9.5 m -126.79 168.92 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.359 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -116.91 99.05 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.462 ' SD ' HG13 ' A' ' 92' ' ' VAL . 0.1 OUTLIER -92.69 133.69 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.83 137.57 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.636 HG22 ' HG3' ' A' ' 17' ' ' ARG . 34.0 m -137.15 150.01 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -132.55 168.12 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.0 m -107.71 151.79 25.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.1 tp -102.7 128.99 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.533 ' CZ2' HD13 ' A' ' 95' ' ' LEU . 55.4 m95 -119.01 154.97 32.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -88.48 179.45 1.65 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.2 Cg_endo -75.05 148.33 34.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -75.03 129.34 12.22 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.513 ' HG2' HG23 ' A' ' 92' ' ' VAL . 13.4 ptp180 -84.8 158.67 20.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.9 105.32 2.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.643 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.7 mt -99.86 148.92 6.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.767 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -140.61 110.78 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.476 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 36.0 p90 -157.0 177.5 11.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -115.21 122.44 46.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.436 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 39.6 t -57.06 165.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 28.2 mt-10 -131.34 85.61 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -69.62 57.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -171.06 -39.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -157.99 100.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 24' ' ' GLU . 69.3 mt -84.93 147.43 26.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -93.44 23.44 30.12 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -171.34 176.26 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.534 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -143.1 176.66 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.412 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.534 ' N ' ' OG1' ' A' ' 31' ' ' THR . 44.6 mt -124.59 124.55 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.0 163.74 24.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.17 -154.64 21.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.03 -79.2 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.548 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.5 t -170.96 139.88 1.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.5 Cg_endo -74.92 132.73 28.5 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.007 -0.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.501 HG12 HG23 ' A' ' 73' ' ' VAL . 15.6 m -54.93 142.72 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 58' ' ' ASP . 1.4 mt-30 -96.08 -172.58 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.1 t -125.44 115.65 44.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -106.74 87.49 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.545 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.56 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 5.7 m-85 -57.86 128.84 39.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.1 mt -103.9 -29.26 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.06 128.45 24.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -9.71 20.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -131.61 65.73 1.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.473 ' CB ' ' HA3' ' A' ' 29' ' ' GLY . 1.2 p -108.32 -104.58 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 108.326 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' ALA . 40.6 m -146.75 -55.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -53.8 -45.04 70.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.7 t -64.29 -49.37 72.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 47' ' ' CYS . 45.1 mt -65.81 -21.25 66.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -68.16 -61.27 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.08 43.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.643 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -121.86 157.53 30.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 pttm -132.84 169.04 17.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -69.25 131.69 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.561 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 94.79 19.26 32.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 76.0 m-20 -83.22 133.03 35.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 20.3 m-85 -105.82 113.87 27.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.6 mt -61.4 127.83 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.515 ' CG1' HG22 ' A' ' 93' ' ' VAL . 31.0 m -113.11 -35.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 61.2 m -159.64 155.11 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.419 HD13 ' HG ' ' A' ' 80' ' ' LEU . 69.8 mt -135.32 113.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 75.3 -55.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.25 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.73 36.92 0.05 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 62' ' ' SER . 64.3 t -126.12 161.82 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -89.9 115.14 26.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.447 ' SG ' HD12 ' A' ' 71' ' ' LEU . 29.1 m -124.18 39.1 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.15 -25.47 14.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -104.6 -34.91 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.447 HD12 ' SG ' ' A' ' 68' ' ' CYS . 14.9 mt -48.53 158.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 76' ' ' VAL . 9.6 p -99.83 -152.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.501 HG23 HG12 ' A' ' 38' ' ' VAL . 3.1 t -78.62 -42.02 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -39.43 -57.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' LEU . 81.9 t -57.59 -54.85 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.421 ' SD ' ' CE ' ' A' ' 81' ' ' LYS . 1.7 mmt -42.29 -44.68 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -71.84 -36.14 70.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -66.96 -23.47 65.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 80' ' ' LEU . 6.9 mt -89.81 -47.35 7.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.421 ' CE ' ' SD ' ' A' ' 77' ' ' MET . 14.0 mttt -57.86 -48.44 79.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -47.11 -38.87 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.606 ' HB3' HG11 ' A' ' 88' ' ' VAL . 23.0 m-85 -94.55 39.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.36 129.74 23.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.0 33.71 86.53 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.798 ' O ' HG13 ' A' ' 88' ' ' VAL . 3.5 mt-10 -137.03 121.19 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.27 113.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 86' ' ' GLU . 5.1 m -118.81 177.78 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.24 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -126.33 98.54 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 44.5 ttp -95.94 126.95 41.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 61' ' ' VAL . 21.7 mtpt -106.22 141.25 37.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.513 HG23 ' HG2' ' A' ' 17' ' ' ARG . 10.6 m -136.32 156.66 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.515 HG22 ' CG1' ' A' ' 61' ' ' VAL . 3.9 m -130.12 167.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.64 132.18 53.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.533 HD13 ' CZ2' ' A' ' 13' ' ' TRP . 11.1 tp -80.79 122.16 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 95' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -118.05 154.12 32.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 107.988 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -89.16 179.67 1.53 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.04 151.49 39.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.03 126.61 10.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 91' ' ' LYS . 18.4 mtp180 -85.97 153.43 22.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.45 110.31 3.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.641 HD13 ' HB2' ' A' ' 54' ' ' ALA . 9.8 mt -106.04 151.75 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -140.36 110.41 6.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.579 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 34.1 p90 -157.12 174.44 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -114.18 108.16 16.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.53 HG22 HD22 ' A' ' 80' ' ' LEU . 37.8 t -43.05 164.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.466 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 3.6 mt-10 -126.96 84.68 2.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.06 58.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.28 -40.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -155.68 105.92 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 24' ' ' GLU . 76.3 mt -92.92 147.45 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.9 24.96 30.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -168.93 163.18 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.607 HG22 HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -129.43 176.87 7.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB2' HG13 ' A' ' 73' ' ' VAL . 81.6 mt -120.51 113.6 20.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -113.2 157.2 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.57 -166.19 30.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.08 -71.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.562 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.2 t -175.63 141.31 0.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.04 132.25 26.93 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.992 0.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' N ' ' HA ' ' A' ' 36' ' ' THR . 28.8 m -53.24 156.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.424 ' HG3' ' CD2' ' A' ' 59' ' ' TYR . 4.3 mt-30 -110.94 -171.35 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 58' ' ' ASP . 87.6 t -125.47 112.5 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 42' ' ' PHE . 6.6 t60 -100.08 64.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.583 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.616 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -36.18 126.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.607 HD11 HG22 ' A' ' 31' ' ' THR . 32.4 mt -111.01 -30.04 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -126.58 113.82 22.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 1.08 8.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.457 1.767 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -144.45 60.76 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.627 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 p -114.99 -50.44 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.517 ' N ' HD12 ' A' ' 51' ' ' LEU . 1.6 m 170.33 -67.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.686 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -41.48 -56.43 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -44.15 75.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 48' ' ' SER . 2.0 mt -66.26 -16.69 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -73.83 -55.5 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.79 44.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -111.52 174.77 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -148.28 166.58 27.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -71.31 139.92 50.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.57 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 87.98 15.62 60.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' O ' HG23 ' A' ' 40' ' ' VAL . 75.4 m-20 -77.9 129.2 35.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 25.1 m-85 -103.09 117.54 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.469 HD12 HG23 ' A' ' 38' ' ' VAL . 9.6 mt -67.33 126.26 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' CYS . 6.8 m -114.06 -38.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.8 m -151.35 162.55 40.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.789 ' H ' HG12 ' A' ' 66' ' ' VAL . 34.9 mt -147.66 106.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 77.38 -0.31 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.42 10.89 10.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.91 HG11 ' CD2' ' A' ' 79' ' ' LEU . 4.3 p -84.49 -177.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.738 ' H ' HG22 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -114.89 93.72 4.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 61' ' ' VAL . 63.8 m -110.08 43.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.7 -24.83 13.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -110.39 -36.43 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.027 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.439 HD12 ' SG ' ' A' ' 68' ' ' CYS . 20.5 mt -41.81 154.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.5 p -94.15 -151.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.564 HG13 ' HB2' ' A' ' 32' ' ' LEU . 52.9 t -82.72 -51.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 t -55.03 -44.98 75.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.41 -71.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.454 HG12 HD11 ' A' ' 32' ' ' LEU . 55.0 t -40.98 -59.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.4 mmt -37.75 -51.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -67.44 -41.07 85.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.91 ' CD2' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -59.0 -31.0 68.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.53 HD22 HG22 ' A' ' 23' ' ' VAL . 6.7 mt -84.72 -46.17 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -53.99 -50.94 65.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 t -47.79 -43.39 27.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.699 ' HB3' HG11 ' A' ' 88' ' ' VAL . 16.0 m-30 -89.74 42.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.61 134.01 15.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.5 23.98 65.41 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.634 ' O ' HG13 ' A' ' 88' ' ' VAL . 4.0 mt-10 -127.92 125.93 40.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 0.801 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.48 110.19 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.699 HG11 ' HB3' ' A' ' 83' ' ' PHE . 4.5 m -116.19 175.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -121.5 99.66 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -91.99 137.71 32.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -114.61 137.64 51.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.503 ' CG1' ' SD ' ' A' ' 90' ' ' MET . 15.5 m -133.64 149.15 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.432 HG12 ' C ' ' A' ' 15' ' ' PRO . 2.3 m -128.56 140.63 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -86.03 145.42 27.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.4 tp -97.23 129.86 44.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -115.8 151.61 34.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.001 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -85.39 174.78 5.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.481 ' C ' HG12 ' A' ' 93' ' ' VAL . 18.2 Cg_endo -74.98 155.01 42.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 142.03 27.16 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.578 ' HG3' HG22 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -108.67 130.2 55.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.35 99.73 2.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.464 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.4 mt -90.21 150.04 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 0.795 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 110.62 10.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.629 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.586 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 27.8 p90 -157.14 171.01 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.23 119.9 39.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG13 HD21 ' A' ' 28' ' ' LEU . 58.4 t -58.64 145.34 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.6 115.17 23.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.36 47.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.99 -42.47 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 111.052 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -151.13 97.58 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.445 HD21 HG13 ' A' ' 23' ' ' VAL . 54.2 mt -73.65 -24.59 60.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.34 -1.9 63.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -151.48 176.84 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -145.03 177.3 8.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.536 ' N ' ' OG1' ' A' ' 31' ' ' THR . 22.7 mt -133.21 128.68 36.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.584 ' HG3' ' CE1' ' A' ' 41' ' ' HIS . 0.7 OUTLIER -87.09 160.79 18.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.52 110.01 2.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 175.82 -165.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.475 ' HA ' ' N ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -168.47 127.94 1.0 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.0 128.09 15.72 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.986 0.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' N ' ' HA ' ' A' ' 36' ' ' THR . 14.7 m -40.63 136.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 62.9 mt-30 -106.42 146.32 30.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.9 t -82.18 136.97 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.584 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 6.5 m-70 -126.57 70.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.562 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.675 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 9.7 m-85 -38.41 133.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 43' ' ' LEU . 13.6 mt -107.91 -26.53 10.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.95 130.7 24.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -7.52 19.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -125.52 58.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.613 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.447 ' C ' HD12 ' A' ' 51' ' ' LEU . 12.8 p -113.83 153.3 29.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.252 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -48.01 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.755 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -40.48 -62.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -52.73 -47.54 67.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.01 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.447 HD12 ' C ' ' A' ' 47' ' ' CYS . 5.9 mt -62.9 -17.76 62.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -71.97 -57.79 4.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.4 44.47 0.03 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.705 ' HB1' ' OD2' ' A' ' 58' ' ' ASP . . . -115.56 166.57 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 0.728 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -129.39 -171.74 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.81 135.74 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 88.38 14.01 62.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.705 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 45.2 m-20 -60.87 125.3 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.602 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 60.6 m-85 -98.94 98.36 9.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 68' ' ' CYS . 36.0 mt -56.1 133.75 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 91' ' ' LYS . 4.4 m -116.44 -37.68 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 40.0 m -161.05 156.95 25.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.418 HD13 ' HG ' ' A' ' 80' ' ' LEU . 87.9 mt -132.54 112.23 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 74.38 -56.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.7 36.59 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 62' ' ' SER . 57.1 t -125.55 153.67 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.367 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.0 124.08 28.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.415 ' SG ' HD12 ' A' ' 71' ' ' LEU . 95.3 m -136.09 53.42 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 108.286 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -106.91 -36.5 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 71' ' ' LEU . 4.7 m95 -103.85 -33.65 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.052 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.415 HD12 ' SG ' ' A' ' 68' ' ' CYS . 16.7 mt -39.5 149.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.5 p -90.41 -158.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 12.6 t -74.71 -51.57 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 t -55.8 -58.22 8.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.44 -55.28 3.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' LEU . 53.4 t -63.76 -61.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -39.65 -45.9 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -65.44 -44.07 88.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.463 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -63.02 -23.8 67.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HG ' HD13 ' A' ' 63' ' ' ILE . 5.1 mt -86.56 -47.5 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 84' ' ' GLY . 19.9 mttt -56.91 -49.31 75.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.6 t -44.06 -37.81 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.515 ' HB3' HG11 ' A' ' 88' ' ' VAL . 25.0 m-85 -95.5 40.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -71.43 126.84 13.34 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.5 21.53 77.6 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.615 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.2 mt-10 -131.73 123.06 26.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 0.731 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 2.4 tt0 -60.44 123.48 17.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 86' ' ' GLU . 6.2 m -124.68 171.83 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -115.68 100.86 8.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.432 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 34.2 ttp -92.16 136.89 32.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.457 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -115.33 128.57 56.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.578 HG22 ' HG3' ' A' ' 17' ' ' ARG . 34.3 m -133.77 154.53 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.481 HG12 ' C ' ' A' ' 15' ' ' PRO . 3.6 m -133.81 163.55 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -104.88 165.68 10.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.426 ' C ' HD13 ' A' ' 96' ' ' LEU . 37.6 tp -114.19 126.7 55.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.533 ' CE2' HD13 ' A' ' 95' ' ' LEU . 61.7 m95 -118.99 150.3 40.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -80.89 173.31 7.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.993 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.47 ' C ' HG12 ' A' ' 93' ' ' VAL . 18.3 Cg_endo -74.97 147.85 34.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.01 128.8 11.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.505 ' HG2' HG23 ' A' ' 92' ' ' VAL . 9.5 ptp180 -91.44 160.97 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.02 114.39 4.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.426 1.079 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.458 HD13 ' HB2' ' A' ' 54' ' ' ALA . 3.1 mt -109.02 154.6 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.555 0.797 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -139.82 110.3 6.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.674 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 34.9 p90 -157.41 174.53 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -109.57 128.23 55.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 40.8 t -66.38 165.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.482 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.4 mm-40 -131.05 84.69 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.43 59.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -170.92 -39.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -157.34 107.49 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.24 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 99.6 mt -95.25 146.3 24.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -90.54 19.87 41.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -166.75 176.1 7.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 0.795 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -143.88 177.01 8.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.533 ' N ' ' OG1' ' A' ' 31' ' ' THR . 49.4 mt -116.21 123.12 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -121.27 156.96 31.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.9 -165.35 30.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -101.86 -72.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.562 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.7 t -174.61 140.79 0.72 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 133.49 31.67 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.055 -2.477 . . . . 0.0 110.942 0.026 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.454 ' N ' ' HA ' ' A' ' 36' ' ' THR . 19.6 m -55.11 152.9 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.46 ' NE2' ' CE2' ' A' ' 59' ' ' TYR . 2.6 mt-30 -106.65 -169.98 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 50.0 t -123.04 103.55 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -96.35 67.14 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.627 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.449 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 1.4 m-85 -41.57 137.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -111.82 -35.59 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -113.34 128.05 26.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.79 11.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.431 ' HA ' HD21 ' A' ' 51' ' ' LEU . 24.1 m80 -136.68 64.07 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.544 ' O ' ' C ' ' A' ' 48' ' ' SER . 5.4 p -120.95 141.95 50.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.544 ' C ' ' O ' ' A' ' 47' ' ' CYS . 0.4 OUTLIER -28.0 -64.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.53 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -38.36 -56.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 47' ' ' CYS . 9.5 t -63.62 -47.42 81.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -53.96 -25.13 19.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.674 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -72.48 -58.5 3.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.81 44.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -109.43 163.97 12.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -141.44 172.98 11.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.97 172.91 9.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 59.38 19.63 47.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 48.1 m-20 -89.15 130.33 35.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.46 ' CE2' ' NE2' ' A' ' 39' ' ' GLN . 14.2 m-85 -105.58 115.34 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.4 ' CD1' HG23 ' A' ' 38' ' ' VAL . 2.6 mp -65.65 127.65 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.7 m -109.6 -39.48 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 71.0 m -154.21 160.26 41.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.452 HD13 ' HG ' ' A' ' 80' ' ' LEU . 90.3 mt -138.23 114.07 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 75.35 -57.12 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.64 37.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 62' ' ' SER . 62.9 t -124.14 162.89 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.44 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -90.85 114.72 27.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.843 ' SG ' HD12 ' A' ' 71' ' ' LEU . 53.1 m -126.87 49.94 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 108.253 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.74 -8.8 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -132.55 10.68 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.843 HD12 ' SG ' ' A' ' 68' ' ' CYS . 30.0 mt -87.24 155.04 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.9 p -86.94 -168.64 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.7 t -75.98 -27.34 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -79.43 -53.85 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -44.88 -63.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 79' ' ' LEU . 71.8 t -51.45 -54.23 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 mmt -46.85 -29.26 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -33.42 22.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -71.81 -22.94 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HG ' HD13 ' A' ' 63' ' ' ILE . 9.9 mt -88.72 -49.86 6.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' GLY . 18.9 mttm -54.83 -48.26 73.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -45.96 -42.13 12.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.624 ' HB3' HG11 ' A' ' 88' ' ' VAL . 24.8 m-85 -92.21 35.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -62.05 136.28 45.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 53.64 27.93 36.37 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.772 ' O ' HG13 ' A' ' 88' ' ' VAL . 1.6 mt-10 -128.99 121.02 27.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.56 119.61 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.772 HG13 ' O ' ' A' ' 86' ' ' GLU . 5.2 m -128.5 174.6 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.81 100.44 7.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.624 ' SD ' HG13 ' A' ' 92' ' ' VAL . 0.1 OUTLIER -92.11 140.61 29.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -113.96 138.54 50.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.624 HG13 ' SD ' ' A' ' 90' ' ' MET . 15.6 m -135.86 155.45 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.47 HG12 ' C ' ' A' ' 15' ' ' PRO . 3.2 m -135.64 159.86 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.59 133.39 46.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.047 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.533 HD13 ' CE2' ' A' ' 13' ' ' TRP . 20.4 tp -89.62 114.18 25.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.437 ' N ' HD13 ' A' ' 96' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CH2' ' HG ' ' A' ' 95' ' ' LEU . 40.4 m95 -120.87 155.78 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.536 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -86.57 179.94 1.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.05 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.5 Cg_endo -75.0 148.86 35.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -74.93 149.71 37.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.622 ' HG3' HG22 ' A' ' 92' ' ' VAL . 1.3 ptp85 -109.05 125.59 52.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.358 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.4 103.48 1.84 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.487 HD13 ' HB2' ' A' ' 54' ' ' ALA . 5.4 mt -96.08 148.75 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -131.75 110.39 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.606 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 39.6 p90 -157.31 172.66 18.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.45 120.75 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.765 HG13 HD21 ' A' ' 28' ' ' LEU . 54.1 t -59.98 148.88 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.657 ' H ' HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -121.64 115.07 22.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.466 ' CG ' ' HA3' ' A' ' 84' ' ' GLY . 9.6 mt-10 -79.46 52.14 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.29 -38.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.69 92.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.765 HD21 HG13 ' A' ' 23' ' ' VAL . 71.1 mt -73.23 -38.36 66.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.65 6.5 59.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 28' ' ' LEU . 5.5 p90 -167.12 161.32 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -128.64 177.44 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.542 ' N ' ' OG1' ' A' ' 31' ' ' THR . 15.2 mt -125.71 143.14 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.502 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 1.9 mmt180 -96.41 159.85 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -72.27 112.23 3.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.516 ' C ' ' CG2' ' A' ' 36' ' ' THR . 1.4 m120 158.85 -177.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.516 ' CG2' ' C ' ' A' ' 35' ' ' ASN . 1.5 p -154.43 129.04 4.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.02 135.24 39.6 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.006 0.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 15.9 m -52.75 141.62 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.528 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 38.2 mt-30 -91.65 -175.28 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.3 t -123.76 121.14 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' PHE . 12.1 t60 -110.99 66.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.763 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -36.62 142.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD11 HG22 ' A' ' 31' ' ' THR . 63.7 mt -117.52 -39.46 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.374 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.43 115.18 42.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.37 7.83 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.429 1.752 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -132.67 44.71 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.4 172.66 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 108.324 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . 47.4 m -53.11 -67.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.735 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -40.16 -66.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.475 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . 1.9 t -44.5 -58.22 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 mt -51.75 -42.96 62.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -42.91 -67.63 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.95 44.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.763 ' HB3' ' HZ ' ' A' ' 42' ' ' PHE . . . -105.79 177.53 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.54 177.03 8.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -88.97 120.76 30.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 110.08 -12.66 31.6 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 74.2 m-20 -39.73 137.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.678 ' CE2' HD12 ' A' ' 95' ' ' LEU . 21.9 m-85 -111.08 98.88 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.687 ' HA ' HG12 ' A' ' 92' ' ' VAL . 84.5 mt -49.8 117.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.7 p -107.23 -26.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 73.8 m -167.18 161.36 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.455 HD13 ' HG ' ' A' ' 80' ' ' LEU . 62.9 mt -144.91 113.97 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 69.94 6.57 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.95 4.82 33.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.434 HG11 HD11 ' A' ' 79' ' ' LEU . 85.3 t -85.52 152.04 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.78 114.95 19.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.438 ' SG ' HD12 ' A' ' 71' ' ' LEU . 64.7 m -131.71 56.57 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 -29.83 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -107.58 -34.09 7.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.438 HD12 ' SG ' ' A' ' 68' ' ' CYS . 11.5 mt -41.17 145.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 50.8 p -90.35 -172.42 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 9.8 t -61.55 -45.99 97.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.2 p -61.14 -63.64 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -40.0 -62.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 110.267 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 79' ' ' LEU . 53.6 t -51.03 -61.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.451 ' HE3' ' HG ' ' A' ' 32' ' ' LEU . 4.1 mmt -39.43 -50.92 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -60.72 -43.44 97.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -61.16 -28.73 69.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.491 HD22 HG22 ' A' ' 23' ' ' VAL . 6.2 mt -84.33 -47.15 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' GLY . 8.4 mttt -54.44 -48.56 71.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.3 t -44.99 -37.33 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.518 ' CB ' HG11 ' A' ' 88' ' ' VAL . 19.6 m-85 -94.87 35.6 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.466 ' HA3' ' CG ' ' A' ' 25' ' ' GLU . . . -68.6 121.42 12.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.12 21.92 66.7 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -136.31 138.43 41.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 2.9 tt0 -72.11 128.83 36.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.518 HG11 ' CB ' ' A' ' 83' ' ' PHE . 10.9 m -131.41 165.46 31.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.0 102.94 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.9 ttp -92.09 139.45 30.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.45 126.95 50.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 60' ' ' ILE . 33.6 m -133.27 141.28 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.8 m -115.24 151.03 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 t -85.58 165.72 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.945 ' C ' HD13 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -114.37 125.54 53.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.945 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.626 ' CZ2' HD13 ' A' ' 95' ' ' LEU . 56.1 m95 -122.2 150.06 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -83.25 178.49 2.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.95 147.79 34.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.5 Cg_endo -75.01 133.15 16.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 92' ' ' VAL . 13.0 ptp180 -95.68 150.7 20.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.95 109.11 3.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.733 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.3 mt -99.49 151.46 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.85 110.57 7.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.611 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.708 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 25.2 p90 -156.97 173.23 17.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.2 106.94 15.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.1 t -41.37 156.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.96 98.65 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.39 54.18 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.08 -37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.4 80.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.5 mt -54.17 -42.04 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.09 3.75 69.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -159.32 174.17 15.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.576 HG22 ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -132.31 178.72 6.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.448 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.533 ' N ' ' OG1' ' A' ' 31' ' ' THR . 88.9 mt -124.55 112.37 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.69 166.51 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.66 -177.36 53.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.91 -71.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.523 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.1 t -173.51 138.49 0.77 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.02 132.06 26.32 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.991 0.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.457 ' N ' ' HA ' ' A' ' 36' ' ' THR . 24.3 m -51.09 154.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.479 ' O ' HD23 ' A' ' 32' ' ' LEU . 5.2 mt-30 -101.24 -178.74 3.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -122.42 99.66 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.47 ' HB3' HG23 ' A' ' 31' ' ' THR . 0.7 OUTLIER -95.23 104.51 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.566 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.681 ' HE1' ' HB3' ' A' ' 49' ' ' ALA . 5.7 m-85 -80.58 110.24 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.576 ' CD2' HG22 ' A' ' 31' ' ' THR . 1.3 mm? -85.15 -34.37 22.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -119.83 136.39 24.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.72 5.95 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.511 1.796 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -95.26 29.39 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.627 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.566 ' O ' HD12 ' A' ' 51' ' ' LEU . 6.6 p -62.49 -121.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -144.87 -49.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.681 ' HB3' ' HE1' ' A' ' 42' ' ' PHE . . . -60.91 -52.09 66.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 t -55.36 -36.49 66.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 47' ' ' CYS . 32.2 mt -70.48 -44.57 67.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.708 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -45.16 -65.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 162.59 43.52 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -120.05 172.29 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -137.58 -179.49 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.24 156.81 27.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.514 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 71.17 20.14 77.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -85.6 137.18 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 0.739 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.514 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 18.0 m-85 -108.21 121.9 45.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.33 130.1 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 91' ' ' LYS . 5.9 m -110.4 -36.75 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 58.4 m -152.63 157.37 40.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.994 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.675 ' H ' HG12 ' A' ' 66' ' ' VAL . 11.9 mt -134.86 99.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER 77.89 -3.26 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.267 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 136.42 -30.41 2.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.767 HG11 ' CD2' ' A' ' 79' ' ' LEU . 4.5 p -50.36 178.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.678 ' H ' HG22 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -116.69 100.89 8.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' VAL . 36.9 m -109.18 44.1 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.21 -24.46 13.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -110.23 -39.32 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.406 HD12 ' SG ' ' A' ' 68' ' ' CYS . 32.2 mt -40.75 159.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 76' ' ' VAL . 16.6 p -100.34 -156.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.3 t -76.45 -49.52 24.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 t -53.64 -66.29 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.49 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' LEU . 70.6 t -41.09 -62.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.408 ' HG2' HD12 ' A' ' 32' ' ' LEU . 1.8 mmt -39.0 -49.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -41.58 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.767 ' CD2' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -60.76 -30.7 70.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mt -83.49 -46.03 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -57.3 -41.83 80.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.9 t -54.82 -44.88 74.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.597 ' HB3' HG11 ' A' ' 88' ' ' VAL . 21.5 m-85 -88.68 37.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.21 126.81 10.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.35 27.12 73.18 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.654 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.3 mt-10 -133.29 124.62 27.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.29 111.84 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 86' ' ' GLU . 4.7 m -118.13 -178.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -124.67 101.02 6.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.509 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 31.0 ttp -91.98 135.7 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -113.46 130.87 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 17' ' ' ARG . 28.2 m -128.38 154.74 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.14 168.75 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.68 141.6 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.626 HD13 ' CZ2' ' A' ' 13' ' ' TRP . 16.5 tp -96.37 115.48 27.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.497 ' CZ3' ' HB2' ' A' ' 95' ' ' LEU . 76.2 m95 -111.25 156.25 21.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.548 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -94.17 -179.63 1.03 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.997 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.98 149.19 36.42 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 151.39 39.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' CD ' ' CG2' ' A' ' 92' ' ' VAL . 11.3 ptp180 -109.75 151.02 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.84 111.04 4.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.728 HD13 ' HB2' ' A' ' 54' ' ' ALA . 5.7 mt -105.54 150.91 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -138.32 111.53 7.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.618 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.494 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 46.5 p90 -153.91 171.69 18.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.588 HG23 ' HA2' ' A' ' 85' ' ' GLY . 1.6 m -111.07 107.33 16.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 41.8 t -43.2 163.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -136.41 110.52 8.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -83.66 49.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.32 -41.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -149.84 90.64 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.1 -25.55 67.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.82 5.56 69.86 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -160.89 163.49 31.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.516 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -129.93 176.89 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.569 ' HB2' HG13 ' A' ' 73' ' ' VAL . 50.2 mt -118.8 150.36 39.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.491 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 12.1 mmt180 -97.39 160.82 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -80.77 108.84 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.522 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 1.1 m120 154.05 -170.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.532 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -156.98 135.66 7.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.449 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.02 130.43 21.28 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.967 0.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.487 ' N ' ' HA ' ' A' ' 36' ' ' THR . 27.7 m -49.49 146.4 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.554 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 1.0 OUTLIER -101.77 -170.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -126.31 119.79 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -102.27 65.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.57 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.598 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 2.7 m-85 -38.4 126.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 43' ' ' LEU . 25.5 mt -109.48 -29.14 8.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -130.33 119.12 18.43 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.47 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.508 ' HA ' HD11 ' A' ' 51' ' ' LEU . 21.0 m-70 -134.61 51.85 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' SER . 6.9 p -104.22 -49.34 3.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.4 OUTLIER 158.41 -65.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -44.12 -50.0 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.467 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 5.5 t -58.96 -47.44 85.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.508 HD11 ' HA ' ' A' ' 46' ' ' HIS . 1.3 mt -65.47 -24.97 67.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -62.48 -63.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.53 42.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.728 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -118.03 161.72 19.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 0.81 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 10.3 mttt -143.14 153.69 43.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -48.94 115.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 115.64 24.95 3.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.74 ' HB3' HG11 ' A' ' 92' ' ' VAL . 55.8 m-20 -84.75 115.55 22.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.554 ' CZ ' ' CD ' ' A' ' 39' ' ' GLN . 28.4 m-85 -93.81 101.04 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.855 HD13 HG11 ' A' ' 76' ' ' VAL . 26.1 mt -48.62 116.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 p -110.24 -39.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -145.66 170.13 17.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.934 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 62' ' ' SER . 14.7 mt -156.57 101.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 71.7 17.14 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.7 10.9 54.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.606 HG11 HD21 ' A' ' 79' ' ' LEU . 98.6 t -90.62 163.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.471 ' N ' HG12 ' A' ' 66' ' ' VAL . 6.2 t0 -88.91 113.82 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.415 ' SG ' HD12 ' A' ' 71' ' ' LEU . 87.9 m -134.87 49.45 2.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 108.309 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.14 -27.3 12.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -109.39 -35.48 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.415 HD12 ' SG ' ' A' ' 68' ' ' CYS . 10.8 mt -40.71 147.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.1 p -96.3 -155.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' A' ' 32' ' ' LEU . 41.6 t -74.52 -51.74 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.7 t -49.86 -60.84 2.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.31 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.855 HG11 HD13 ' A' ' 60' ' ' ILE . 75.9 t -41.97 -59.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 76' ' ' VAL . 4.0 mmt -37.22 -55.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -42.98 95.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.606 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -59.25 -24.24 63.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' VAL . 5.5 mt -90.47 -51.83 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -55.37 -48.27 74.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.5 t -45.14 -36.94 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 23.5 m-85 -97.03 40.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.08 124.2 35.33 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.588 ' HA2' HG23 ' A' ' 22' ' ' THR . . . 44.87 43.05 8.13 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -117.15 -3.66 11.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 60.65 111.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.489 HG11 ' CB ' ' A' ' 83' ' ' PHE . 5.6 m -134.68 172.26 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -116.84 105.42 12.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.466 ' HE2' ' HB3' ' A' ' 90' ' ' MET . 18.3 ttp -91.65 134.16 34.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -110.07 134.35 52.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.74 HG11 ' HB3' ' A' ' 58' ' ' ASP . 26.8 m -134.94 143.72 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.408 HG12 ' C ' ' A' ' 15' ' ' PRO . 1.4 m -118.27 163.08 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.31 146.09 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.497 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 24.4 tp -98.67 121.14 40.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.444 ' O ' HD22 ' A' ' 96' ' ' LEU . 1.1 tmt_? . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -109.72 156.57 20.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.022 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -92.52 179.33 1.36 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.002 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.2 Cg_endo -75.0 149.33 36.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -74.95 138.12 22.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' NH1' ' CG2' ' A' ' 92' ' ' VAL . 1.0 OUTLIER -87.08 174.26 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.38 86.92 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.775 HD13 ' HB2' ' A' ' 54' ' ' ALA . 7.4 mt -89.62 149.41 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.3 110.72 9.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.59 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.564 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 13.4 p90 -154.97 176.22 12.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.99 112.27 23.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.545 HG13 HD21 ' A' ' 28' ' ' LEU . 54.2 t -49.49 135.67 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 2.7 tt0 -108.43 113.44 26.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.26 13.69 6.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 27' ' ' ASP . . . -126.43 -4.51 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 1.8 t70 174.17 66.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.545 HD21 HG13 ' A' ' 23' ' ' VAL . 15.9 mt -37.35 -37.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.18 -35.41 4.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.42 1.075 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -126.07 -171.9 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.799 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -144.08 176.33 9.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.372 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.799 HD23 ' O ' ' A' ' 31' ' ' THR . 21.1 mt -129.32 122.22 29.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.12 161.53 39.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.34 -164.65 25.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -97.03 -175.56 3.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.542 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.9 t -89.88 140.94 27.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -74.99 132.33 27.22 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.994 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.461 ' N ' ' HA ' ' A' ' 36' ' ' THR . 15.7 m -52.72 147.71 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.538 ' OE1' ' CE2' ' A' ' 59' ' ' TYR . 2.2 mt-30 -107.09 166.03 10.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.4 t -102.67 126.75 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -113.05 76.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.618 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 2.2 m-85 -39.97 124.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.5 mt -104.87 -29.73 10.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.8 134.37 25.59 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -6.64 18.27 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -128.14 53.98 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.7 p -105.01 153.8 20.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 52' ' ' ALA . 16.7 m -45.25 -58.4 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.953 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.699 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -44.12 -60.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.465 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 38.9 t -53.62 -49.8 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.85 -18.76 46.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -76.65 -58.14 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.9 50.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.775 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -118.54 153.54 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -130.36 139.94 50.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -41.42 125.45 2.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.1 24.73 5.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.817 ' HB3' HG21 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -87.51 122.53 31.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.538 ' CE2' ' OE1' ' A' ' 39' ' ' GLN . 7.4 m-85 -100.13 96.96 7.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.493 HG21 HD11 ' A' ' 63' ' ' ILE . 57.2 mt -48.65 96.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.595 HG23 ' HG3' ' A' ' 69' ' ' LYS . 3.1 p -87.39 -28.31 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 36.3 m -168.77 155.24 6.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.493 HD11 HG21 ' A' ' 60' ' ' ILE . 48.7 mt -132.5 118.25 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 73.82 -57.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.38 37.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 62' ' ' SER . 64.6 t -124.64 146.34 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.86 115.73 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.7 m -122.3 45.49 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.595 ' HG3' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -101.97 -14.64 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -114.33 -43.68 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.426 ' CD1' HD13 ' A' ' 79' ' ' LEU . 19.3 mt -40.31 151.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.412 HG23 ' OE1' ' A' ' 75' ' ' GLU . 26.2 p -94.74 -158.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.438 ' HA ' HG11 ' A' ' 38' ' ' VAL . 33.5 t -73.59 -46.77 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.6 t -58.33 -61.68 2.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.412 ' OE1' HG23 ' A' ' 72' ' ' THR . 0.4 OUTLIER -40.75 -69.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' LEU . 72.0 t -44.33 -58.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -38.42 -43.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -73.57 -44.45 57.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.471 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -56.61 -25.86 54.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HG ' HD13 ' A' ' 63' ' ' ILE . 6.0 mt -86.54 -46.65 9.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -53.73 -50.1 66.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 t -45.01 -47.56 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.691 ' HB3' HG11 ' A' ' 88' ' ' VAL . 28.8 m-85 -88.69 40.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.46 124.04 9.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.16 35.89 84.2 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.866 ' O ' HG13 ' A' ' 88' ' ' VAL . 6.6 mt-10 -141.0 122.09 14.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.99 115.29 1.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 86' ' ' GLU . 11.3 m -124.76 164.88 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.11 104.07 12.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.444 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 30.6 ttp -91.54 137.18 32.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -123.23 133.36 54.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.817 HG21 ' HB3' ' A' ' 58' ' ' ASP . 29.4 m -136.24 146.09 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.44 HG12 ' C ' ' A' ' 15' ' ' PRO . 2.4 m -118.07 143.38 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.28 138.56 31.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.929 ' C ' HD13 ' A' ' 96' ' ' LEU . 28.9 tp -90.49 131.17 36.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.929 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -125.81 148.03 49.25 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -79.54 179.45 1.82 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.043 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 147.4 33.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.814 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -75.0 146.31 32.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.565 ' HG3' HG22 ' A' ' 92' ' ' VAL . 1.8 ptp180 -109.07 130.13 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.82 99.45 2.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.544 HD13 ' HB2' ' A' ' 54' ' ' ALA . 3.6 mt -89.15 150.77 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -134.12 110.31 9.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.577 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.688 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 24.0 p90 -157.07 172.82 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.75 108.06 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.4 HG13 HD21 ' A' ' 28' ' ' LEU . 55.6 t -42.92 154.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -114.78 101.27 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -79.57 51.94 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.03 -39.88 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -151.42 77.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 28' ' ' LEU . 17.9 mt -46.27 -35.59 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.1 -36.13 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -121.42 179.2 4.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -136.52 176.72 8.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.521 ' N ' ' OG1' ' A' ' 31' ' ' THR . 89.1 mt -119.46 128.19 53.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.31 159.87 33.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.19 -167.63 33.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.84 -73.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.551 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 2.6 t -174.4 140.78 0.74 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -74.98 132.25 26.94 Favored 'Cis proline' 0 C--N 1.359 1.103 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.007 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.461 ' N ' ' HA ' ' A' ' 36' ' ' THR . 16.2 m -55.22 144.98 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.464 ' HG3' ' CD2' ' A' ' 59' ' ' TYR . 2.4 mt-30 -99.92 -174.11 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 58' ' ' ASP . 20.5 t -120.77 117.58 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -105.89 94.88 5.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.553 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 4.4 m-85 -63.37 118.83 8.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.3 mt -108.37 -24.1 11.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -130.08 133.67 25.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -28.07 9.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 47' ' ' CYS . 1.3 m80 -99.56 27.08 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 109.597 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.416 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.6 p -61.32 -119.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -149.99 -46.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.039 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.623 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -60.97 -48.51 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.55 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.8 t -59.71 -47.05 87.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 47' ' ' CYS . 42.2 mt -57.88 -25.67 61.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.688 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -67.55 -59.65 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 148.3 44.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.591 ' HB1' ' OD2' ' A' ' 58' ' ' ASP . . . -105.35 -168.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.751 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 5.2 mtmm -144.46 -171.34 3.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -92.83 113.52 25.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.589 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 116.0 4.1 19.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.591 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 3.4 m-20 -50.85 113.01 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.271 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 88.0 m-85 -88.82 97.31 11.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 111.058 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.569 HG21 HD11 ' A' ' 63' ' ' ILE . 2.9 mt -50.7 95.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.478 HG23 ' HG3' ' A' ' 69' ' ' LYS . 2.9 p -87.61 -27.93 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 68.2 m -161.35 167.95 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.803 ' H ' HG12 ' A' ' 66' ' ' VAL . 47.1 mt -150.23 108.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.18 2.76 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.04 14.3 12.27 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.803 HG12 ' H ' ' A' ' 63' ' ' ILE . 4.3 p -86.59 -178.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.745 ' H ' HG22 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -114.32 94.99 5.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.463 ' SG ' HD12 ' A' ' 71' ' ' LEU . 48.4 m -108.47 38.44 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.262 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.478 ' HG3' HG23 ' A' ' 61' ' ' VAL . 1.4 ttmt -96.56 -17.72 20.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -113.59 -40.41 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.463 HD12 ' SG ' ' A' ' 68' ' ' CYS . 14.6 mt -40.71 152.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.4 p -94.05 -144.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.9 t -88.86 -46.53 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -61.24 -52.65 63.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.46 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 79' ' ' LEU . 78.8 t -42.45 -57.35 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 76' ' ' VAL . 1.7 mmt -37.3 -48.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -45.45 72.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.779 ' CD2' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -53.54 -30.69 43.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mt -83.23 -45.18 14.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -56.82 -49.93 73.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -47.69 -35.81 10.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.712 ' HB3' HG11 ' A' ' 88' ' ' VAL . 21.9 m-85 -100.12 39.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.02 128.5 11.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.32 28.76 73.93 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.706 ' O ' HG13 ' A' ' 88' ' ' VAL . 7.1 mt-10 -134.01 122.95 23.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.17 116.31 3.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.712 HG11 ' HB3' ' A' ' 83' ' ' PHE . 16.4 m -125.56 165.76 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -110.63 100.76 9.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.445 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 32.1 ttp -91.65 131.44 37.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.72 136.57 50.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.565 HG22 ' HG3' ' A' ' 17' ' ' ARG . 27.3 m -138.48 140.89 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.403 HG22 ' HB ' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -118.17 143.34 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.61 137.13 33.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.491 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -73.34 104.66 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 14' ' ' SER . 2.9 mp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.441 ' CZ2' ' HG ' ' A' ' 95' ' ' LEU . 39.9 m95 -113.22 128.25 56.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 107.993 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.552 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.8 OUTLIER -64.1 -178.75 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -75.02 147.27 33.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.427 ' HA ' HG13 ' A' ' 93' ' ' VAL . 18.4 Cg_endo -74.92 141.72 27.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.523 1.801 . . . . 0.0 111.038 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.55 ' HD2' HD11 ' A' ' 19' ' ' ILE . 11.8 ptp180 -91.7 155.85 18.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.15 105.95 2.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.55 HD11 ' HD2' ' A' ' 17' ' ' ARG . 9.1 mt -100.26 152.34 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.52 111.27 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.789 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 28.1 p90 -154.65 175.91 13.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.499 HG23 ' HA2' ' A' ' 85' ' ' GLY . 1.4 m -113.13 123.3 49.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.759 HG12 ' H ' ' A' ' 25' ' ' GLU . 91.8 t -63.24 128.9 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mp0 -81.33 -3.74 53.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.759 ' H ' HG12 ' A' ' 23' ' ' VAL . 2.0 pt-20 30.46 56.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.8 45.57 0.3 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 0.6 OUTLIER 173.31 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.2 mt -79.76 137.23 36.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.423 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -90.6 35.07 3.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -170.35 172.77 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.564 HG22 HD11 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -136.55 177.36 7.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.959 ' HB2' HG13 ' A' ' 73' ' ' VAL . 79.1 mt -116.87 131.85 56.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -137.94 152.29 48.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.52 -177.04 38.83 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -85.9 -86.04 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.757 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.538 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.6 t -166.67 139.19 3.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.98 133.06 29.71 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.013 -0.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.503 HG23 HD12 ' A' ' 60' ' ' ILE . 28.8 m -56.67 153.65 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -100.68 175.3 5.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.9 t -116.21 105.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' PHE . 38.5 t60 -97.11 68.99 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.571 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.712 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 1.2 m-85 -37.09 140.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.564 HD11 HG22 ' A' ' 31' ' ' THR . 40.3 mt -115.22 -41.18 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.91 123.8 28.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.09 9.33 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -126.6 55.16 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.423 ' CB ' ' HA3' ' A' ' 29' ' ' GLY . 25.4 p -122.05 159.7 26.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 108.353 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -45.74 -63.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.96 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.777 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -39.6 -66.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 t -51.63 -50.37 60.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.958 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.4 mt -57.16 -21.71 34.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.789 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -67.91 -52.46 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.28 42.99 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.716 ' HB1' ' OD2' ' A' ' 58' ' ' ASP . . . -96.75 -165.46 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.29 156.35 16.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.24 120.48 14.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.613 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 115.11 1.69 22.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.716 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 90.8 m-20 -61.9 130.87 47.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.613 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 54.1 m-85 -104.82 97.17 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.514 HG22 ' HB3' ' A' ' 68' ' ' CYS . 26.6 mt -48.3 99.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.477 HG23 ' HG3' ' A' ' 69' ' ' LYS . 2.0 p -88.83 -43.32 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 3.0 m -152.75 165.0 36.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.479 HD13 ' HG ' ' A' ' 80' ' ' LEU . 55.3 mt -143.89 114.1 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 71.66 5.61 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.22 12.68 24.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 62' ' ' SER . 23.7 t -103.41 134.0 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.34 122.89 15.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.514 ' HB3' HG22 ' A' ' 60' ' ' ILE . 14.4 m -127.38 5.13 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 108.338 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.477 ' HG3' HG23 ' A' ' 61' ' ' VAL . 1.2 ttmt -82.05 -9.76 59.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -108.71 -34.49 6.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 108.019 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.62 165.04 3.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.5 p -97.17 -146.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.959 HG13 ' HB2' ' A' ' 32' ' ' LEU . 39.5 t -90.31 -35.26 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.68 -57.89 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -43.28 -52.87 5.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' LEU . 79.2 t -58.71 -57.23 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.497 ' HG2' HD12 ' A' ' 32' ' ' LEU . 2.5 mmt -41.53 -37.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.44 -43.33 56.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -61.31 -26.36 67.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.479 ' HG ' HD13 ' A' ' 63' ' ' ILE . 4.8 mt -84.5 -45.37 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -62.05 -47.03 86.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -47.04 -31.72 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 19.5 m-85 -100.02 40.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.441 ' CA ' ' HB3' ' A' ' 25' ' ' GLU . . . -62.82 117.74 12.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.499 ' HA2' HG23 ' A' ' 22' ' ' THR . . . 52.38 44.8 58.74 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' GLU . 32.8 mt-10 -122.54 -4.26 8.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 86' ' ' GLU . 3.7 tt0 58.51 116.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 2.6 m -135.69 178.75 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 19' ' ' ILE . 3.3 mt-10 -121.67 107.25 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.237 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.533 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 8.0 ttp -91.38 131.05 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.35 135.62 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.666 HG11 ' HB3' ' A' ' 58' ' ' ASP . 30.1 m -138.24 144.05 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.427 HG13 ' HA ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -121.27 140.77 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.11 135.06 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.598 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -73.21 112.65 9.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CH2' ' HG ' ' A' ' 95' ' ' LEU . 39.8 m95 -123.92 142.54 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.503 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -74.52 177.98 1.94 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.503 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.94 148.46 35.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.0 148.7 35.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.718 ' HG3' HG22 ' A' ' 92' ' ' VAL . 1.6 ptp85 -112.59 130.84 55.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.21 103.48 2.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.773 HD13 ' HB2' ' A' ' 54' ' ' ALA . 9.7 mt -92.29 151.09 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -135.02 110.37 9.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 34.0 p90 -157.07 176.5 12.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -116.78 107.99 15.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.577 HG13 HD21 ' A' ' 28' ' ' LEU . 66.5 t -42.19 145.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -105.5 96.16 6.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.76 53.87 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.3 -37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -149.52 79.06 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.577 HD21 HG13 ' A' ' 23' ' ' VAL . 11.8 mt -54.04 -38.81 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 86.1 3.21 85.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -162.4 160.72 26.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -124.39 176.77 6.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.591 ' HB2' HG13 ' A' ' 73' ' ' VAL . 83.0 mt -118.77 136.85 53.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.485 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 27.0 mtp85 -86.85 152.68 22.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.272 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -73.29 112.86 4.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 1.3 m120 153.3 -176.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.528 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.9 p -153.55 132.79 7.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -74.97 130.65 21.82 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.006 -0.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 29.0 m -47.13 160.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 57' ' ' GLY . 29.2 mt-30 -117.1 164.09 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.5 t -101.1 117.86 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -103.7 63.85 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.464 ' HE1' ' HB3' ' A' ' 49' ' ' ALA . 2.7 m-85 -39.55 133.13 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.6 mt -111.28 -35.34 5.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.21 123.08 24.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.06 8.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -132.34 40.16 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 48' ' ' SER . 11.9 p -90.09 -48.56 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.571 ' HA ' HD12 ' A' ' 51' ' ' LEU . 1.0 OUTLIER 158.32 -67.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.464 ' HB3' ' HE1' ' A' ' 42' ' ' PHE . . . -40.41 -45.53 2.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -45.63 91.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 48' ' ' SER . 1.3 mt -66.26 -28.97 69.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -63.07 -60.71 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.83 43.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.773 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -119.65 171.75 8.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -139.31 -178.04 5.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -83.43 148.02 27.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.584 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 79.46 -1.16 78.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -51.96 134.12 32.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 20.0 m-85 -105.36 99.63 9.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' CYS . 2.7 mt -60.73 131.56 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 68' ' ' CYS . 4.1 m -112.08 -37.55 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.6 m -149.97 155.46 40.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.719 HD13 ' HG ' ' A' ' 80' ' ' LEU . 50.1 mt -133.08 99.54 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER 77.25 -1.85 2.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.71 -29.48 3.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.836 HG21 HD11 ' A' ' 79' ' ' LEU . 4.4 p -50.37 177.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.648 ' H ' HG22 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -113.55 101.01 8.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' VAL . 62.9 m -113.29 54.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.03 -27.76 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.473 ' O ' HG21 ' A' ' 36' ' ' THR . 39.8 m95 -112.6 -36.41 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.426 HD22 ' CD ' ' A' ' 75' ' ' GLU . 25.2 mt -39.78 152.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.64 ' O ' HG23 ' A' ' 76' ' ' VAL . 27.5 p -91.83 -159.93 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.591 HG13 ' HB2' ' A' ' 32' ' ' LEU . 6.7 t -74.34 -48.17 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 t -55.57 -64.06 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.426 ' CD ' HD22 ' A' ' 71' ' ' LEU . 2.2 mt-10 -42.11 -58.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 72' ' ' THR . 66.1 t -56.65 -51.25 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.5 mmt -49.35 -46.52 47.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -39.01 70.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.836 HD11 HG21 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -61.5 -34.41 75.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.719 ' HG ' HD13 ' A' ' 63' ' ' ILE . 3.2 mt -83.45 -46.7 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -52.12 -52.43 51.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.2 t -45.86 -39.7 8.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.98 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.445 ' HB3' HG11 ' A' ' 88' ' ' VAL . 20.5 m-85 -88.75 34.57 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -67.84 125.28 22.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.76 25.34 75.21 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.682 ' O ' HG13 ' A' ' 88' ' ' VAL . 8.1 mt-10 -130.55 123.66 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.01 124.68 21.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 86' ' ' GLU . 3.0 m -130.88 179.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -123.36 101.19 7.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.445 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 30.4 ttp -91.96 138.62 31.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.4 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -117.29 128.31 54.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.718 HG22 ' HG3' ' A' ' 17' ' ' ARG . 16.9 m -128.5 148.91 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.92 160.4 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.06 148.61 24.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.559 ' HG ' ' CH2' ' A' ' 13' ' ' TRP . 0.7 OUTLIER -97.74 112.8 24.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.567 HD22 ' N ' ' A' ' 96' ' ' LEU . 2.0 mm? . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -167.46 168.8 12.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.62 -58.14 1.7 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.968 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.08 -178.24 32.71 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -165.63 142.7 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 0.727 . . . . 0.0 110.053 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.56 156.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.986 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.7 75.59 1.96 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -74.71 113.31 11.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.47 107.23 4.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.12 150.45 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.94 160.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 126.26 19.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.453 ' CZ2' HD13 ' A' ' 95' ' ' LEU . 36.4 m95 -106.05 149.65 26.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.015 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.488 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -76.81 177.31 2.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.016 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.96 150.25 38.07 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.4 Cg_endo -75.0 132.94 15.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -88.62 167.67 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.46 102.9 0.99 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.867 HD13 ' HB2' ' A' ' 54' ' ' ALA . 7.4 mt -96.89 154.16 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.39 110.45 6.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.572 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 33.3 p90 -157.13 177.41 11.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -118.25 108.06 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG22 HD22 ' A' ' 80' ' ' LEU . 38.5 t -40.65 159.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 6.6 mm-40 -127.9 105.22 8.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.86 53.94 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.46 -40.96 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -153.09 89.19 1.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 0.736 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD21 HG13 ' A' ' 23' ' ' VAL . 66.2 mt -64.67 -28.65 69.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 82.54 -2.54 85.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -149.17 171.73 15.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 0.786 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -135.49 176.69 8.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.593 ' HB2' HG13 ' A' ' 73' ' ' VAL . 57.4 mt -125.08 119.56 28.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -117.27 165.45 13.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.64 -161.87 31.26 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.4 OUTLIER -109.98 -69.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.56 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.1 t -174.96 140.4 0.65 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -74.98 131.94 25.89 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.995 -0.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.469 ' N ' ' HA ' ' A' ' 36' ' ' THR . 20.7 m -50.55 150.69 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.595 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 20.4 mt-30 -115.43 167.71 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.9 t -100.75 113.6 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -103.56 65.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.605 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 3.8 m-85 -40.35 123.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 43' ' ' LEU . 18.6 mt -107.14 -28.53 9.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.07 134.13 25.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -31.29 6.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -93.56 26.36 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.589 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.731 ' O ' HD12 ' A' ' 51' ' ' LEU . 7.9 p -63.2 -123.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.61 -58.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.649 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -49.94 -49.36 50.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.533 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.8 t -58.78 -52.01 67.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 47' ' ' CYS . 29.4 mt -53.44 -29.46 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -63.42 -58.86 5.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.26 44.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.041 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.867 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -111.29 -172.8 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.781 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -144.31 -171.59 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.62 163.21 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.456 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 57.64 15.93 20.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -68.49 120.45 14.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 0.737 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.595 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 71.4 m-85 -93.34 107.3 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.7 mt -63.77 135.97 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 91' ' ' LYS . 5.3 m -113.5 -36.18 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 34.8 m -154.58 157.83 38.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.45 HD13 ' HG ' ' A' ' 80' ' ' LEU . 92.5 mt -136.31 102.4 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 74.61 8.12 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.25 -21.87 9.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.949 HG11 HD21 ' A' ' 79' ' ' LEU . 75.3 t -63.82 154.9 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.75 120.34 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.7 m -133.38 53.09 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 108.32 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.45 -32.38 6.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -102.24 -35.85 8.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 107.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.429 ' CD1' HD13 ' A' ' 79' ' ' LEU . 14.2 mt -42.32 154.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.5 p -98.05 -147.28 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.593 HG13 ' HB2' ' A' ' 32' ' ' LEU . 50.5 t -85.4 -48.93 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 t -55.77 -53.91 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.78 -68.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 79' ' ' LEU . 56.0 t -44.45 -59.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.4 mmt -39.03 -45.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -72.61 -41.91 65.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.949 HD21 HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -60.75 -26.17 67.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD22 HG22 ' A' ' 23' ' ' VAL . 5.0 mt -87.18 -46.9 9.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -54.34 -50.49 67.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.5 t -45.12 -45.02 10.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.624 ' HB3' HG11 ' A' ' 88' ' ' VAL . 26.9 m-85 -88.95 44.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.48 129.36 9.9 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.34 30.02 75.9 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.698 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.2 mt-10 -135.31 123.84 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.78 110.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 86' ' ' GLU . 13.3 m -115.15 171.7 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -119.11 103.67 9.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.443 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 27.1 ttp -92.1 138.04 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.497 ' O ' HG22 ' A' ' 61' ' ' VAL . 2.7 mptt -119.71 128.73 54.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 18.6 m -128.39 154.61 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.446 HG22 HG13 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -130.69 143.26 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -85.33 144.12 28.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.453 HD13 ' CZ2' ' A' ' 13' ' ' TRP . 35.2 tp -99.07 128.24 45.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -113.58 127.53 56.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -166.07 152.46 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -48.92 165.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.1 t -155.46 156.93 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.9 146.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.4 p -171.3 151.94 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.89 146.01 46.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.8 t-80 -145.0 172.77 12.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.613 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 19.3 m-20 -79.52 159.24 26.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 173.86 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.0 p -126.17 161.04 28.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.962 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -106.69 148.33 16.39 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.482 1.113 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -176.46 2.89 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.3 p -121.61 164.66 16.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.3 p -99.89 166.49 11.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.924 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 p -140.32 117.91 11.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 0.725 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 p -169.48 154.22 5.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.17 175.18 30.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -152.65 160.69 43.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.23 114.78 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.46 103.72 2.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.76 135.73 36.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.68 171.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m 61.33 156.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -48.68 144.89 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -90.27 136.39 33.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -132.42 136.18 46.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 107.964 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -66.03 176.97 0.83 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.02 147.0 33.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.06 137.15 21.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 92' ' ' VAL . 9.7 ptp180 -102.25 151.28 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.53 109.21 3.8 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.555 HD13 ' HB2' ' A' ' 54' ' ' ALA . 6.1 mt -100.51 152.73 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.76 111.16 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.637 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.725 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 33.8 p90 -156.66 174.9 14.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -115.91 112.66 22.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 34.6 t -43.52 164.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.487 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.5 mt-10 -132.65 97.64 4.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.11 54.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.84 -38.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.086 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -156.09 89.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.759 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.3 mt -66.58 -38.23 86.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.99 0.53 68.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -153.47 173.41 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 0.755 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.522 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -134.91 176.5 8.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB2' HG13 ' A' ' 73' ' ' VAL . 84.4 mt -119.73 114.04 21.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 mtt-85 -107.86 166.67 10.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.28 -174.08 54.43 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -95.96 -67.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.552 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.2 t -177.78 139.21 0.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.04 131.9 25.77 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.958 -2.517 . . . . 0.0 110.976 0.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.477 ' N ' ' HA ' ' A' ' 36' ' ' THR . 31.7 m -50.1 170.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 58' ' ' ASP . 5.1 mt-30 -125.97 175.21 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.5 t -111.18 101.77 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -94.69 72.6 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.621 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.431 ' HE1' ' HB3' ' A' ' 49' ' ' ALA . 3.6 m-85 -49.33 131.11 20.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.2 mt -110.03 -32.26 7.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.05 127.11 26.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -8.94 20.5 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.534 1.807 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -131.87 65.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.697 ' O ' HD12 ' A' ' 51' ' ' LEU . 1.2 p -108.59 -105.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -143.75 -67.45 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.55 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -43.59 -51.77 6.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.55 -58.01 9.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 47' ' ' CYS . 21.5 mt -46.75 -48.5 20.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.725 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -40.49 -67.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.47 42.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.555 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -114.13 172.78 6.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -149.96 160.36 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -59.13 138.15 57.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.465 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 94.19 18.75 35.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.492 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 77.2 m-20 -85.52 127.1 34.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.84 ' CE2' HD12 ' A' ' 95' ' ' LEU . 15.0 m-85 -103.14 102.82 12.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.594 HG21 HD11 ' A' ' 63' ' ' ILE . 2.7 mp -54.59 127.3 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 91' ' ' LYS . 7.0 m -113.99 -36.54 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 1.3 p -142.04 169.2 18.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.594 HD11 HG21 ' A' ' 60' ' ' ILE . 18.2 mt -156.1 95.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.432 ' HG3' HG12 ' A' ' 88' ' ' VAL . 1.4 mm-40 71.22 33.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.46 16.29 71.59 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.698 HG11 HD21 ' A' ' 79' ' ' LEU . 97.6 t -100.75 160.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.421 ' N ' HG12 ' A' ' 66' ' ' VAL . 2.2 t0 -87.06 118.93 26.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.669 ' SG ' HD22 ' A' ' 79' ' ' LEU . 90.0 m -138.89 50.43 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 108.319 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.66 -34.32 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -99.44 -32.85 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.586 ' CD1' HD13 ' A' ' 79' ' ' LEU . 23.9 mt -44.18 154.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 48.0 p -94.59 -155.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.375 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.56 HG13 ' HB2' ' A' ' 32' ' ' LEU . 76.0 t -78.62 -46.62 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 t -59.85 -53.05 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.17 -69.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' LEU . 48.3 t -43.39 -58.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -39.94 -58.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -62.61 -33.32 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.698 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -67.83 -30.46 69.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 76' ' ' VAL . 3.2 mt -84.54 -45.16 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -55.8 -50.63 69.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 t -44.53 -45.19 9.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.516 ' HB3' HG11 ' A' ' 88' ' ' VAL . 18.7 m-85 -89.22 37.83 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' A' ' 23' ' ' VAL . . . -70.92 125.97 13.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.17 31.39 69.15 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.699 ' O ' HG13 ' A' ' 88' ' ' VAL . 6.5 mt-10 -139.48 121.68 15.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -56.67 119.91 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 86' ' ' GLU . 18.0 m -126.15 164.41 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -110.37 98.63 7.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.514 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 22.6 ttp -93.45 132.92 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.638 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -108.93 131.63 54.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 17' ' ' ARG . 23.9 m -126.26 155.46 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.18 161.79 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 m -103.76 142.23 34.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.84 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.5 OUTLIER -93.68 117.68 30.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 96' ' ' LEU . 1.6 mm? -89.84 -165.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -155.55 158.05 37.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -67.44 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.014 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 63.4 m -40.45 151.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.86 167.75 20.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.81 127.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.95 -44.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.4 145.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.574 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.11 121.46 29.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.37 125.37 33.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.16 119.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -154.41 149.62 21.02 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.01 30.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.27 116.83 9.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.42 142.06 18.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.544 1.152 . . . . 0.0 110.964 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.8 p -159.22 105.81 1.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 0.745 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -100.04 98.84 9.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.63 -168.67 12.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.98 106.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -139.39 -58.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.038 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.81 139.37 6.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -40.3 124.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.966 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.5 170.44 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.81 118.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -49.06 161.15 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -105.59 105.72 15.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.567 ' CZ3' ' HG ' ' A' ' 95' ' ' LEU . 68.2 m95 -105.9 152.09 23.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.64 172.4 9.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -75.01 148.99 36.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.4 Cg_endo -74.96 132.27 15.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HD2' HD11 ' A' ' 19' ' ' ILE . 8.9 ptp180 -95.48 169.35 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.32 105.25 1.52 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.676 HD13 ' HB2' ' A' ' 54' ' ' ALA . 11.0 mt -100.24 151.47 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.48 110.74 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.567 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.45 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 32.9 p90 -156.87 172.36 18.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -111.4 127.03 55.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.601 ' CG2' HD22 ' A' ' 80' ' ' LEU . 25.1 t -68.37 164.26 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.478 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 3.7 mt-10 -128.95 87.83 2.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.24 60.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -172.8 -38.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -162.45 94.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.481 HD21 HG13 ' A' ' 23' ' ' VAL . 80.1 mt -71.37 146.0 49.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -87.45 12.71 62.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -160.98 153.91 21.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.515 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -113.8 176.76 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.562 HD12 ' HG2' ' A' ' 77' ' ' MET . 11.0 mt -129.35 150.02 50.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -146.51 165.58 29.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.48 -169.86 38.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -101.35 -67.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.554 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.7 t -178.5 139.81 0.38 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 132.0 26.1 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.028 -2.488 . . . . 0.0 111.011 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' N ' ' HA ' ' A' ' 36' ' ' THR . 17.3 m -49.52 146.75 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.608 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 63.4 mt-30 -112.48 133.51 54.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -69.84 117.03 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -106.62 77.78 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.604 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 1.5 m-85 -39.11 120.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.929 ' O ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -114.94 -34.5 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.72 132.46 23.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -90.55 36.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.578 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.625 ' O ' HD12 ' A' ' 51' ' ' LEU . 10.3 p -70.97 -125.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 108.335 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.5 p -138.88 -57.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.0 -40.5 44.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.554 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 7.0 t -67.62 -41.21 84.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.056 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 47' ' ' CYS . 29.1 mt -69.12 -17.79 63.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -80.75 -55.08 5.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.416 ' O ' ' NH1' ' A' ' 17' ' ' ARG . . . 145.47 45.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.676 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -105.94 165.39 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -122.54 -175.15 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.83 147.59 23.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.573 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 73.07 15.42 78.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -64.33 127.4 31.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.608 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 44.1 m-85 -99.12 107.48 19.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.58 HG21 HD11 ' A' ' 63' ' ' ILE . 23.6 mt -60.43 129.29 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 91' ' ' LYS . 8.3 m -113.33 -33.34 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.479 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 1.7 p -145.45 168.55 20.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.58 HD11 HG21 ' A' ' 60' ' ' ILE . 14.0 mt -155.68 94.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 70.4 33.88 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.31 27.39 48.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.589 HG11 HD21 ' A' ' 79' ' ' LEU . 98.7 t -112.03 162.83 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.463 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.7 OUTLIER -89.99 118.88 29.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.432 ' SG ' HD12 ' A' ' 71' ' ' LEU . 59.9 m -138.87 50.81 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.88 -34.37 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -101.56 -23.16 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 107.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.432 HD12 ' SG ' ' A' ' 68' ' ' CYS . 13.4 mt -54.25 158.11 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.9 p -103.0 -159.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.457 ' HA ' HG11 ' A' ' 38' ' ' VAL . 85.4 t -72.27 -52.09 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -59.39 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.87 -71.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' LEU . 48.6 t -40.84 -62.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.562 ' HG2' HD12 ' A' ' 32' ' ' LEU . 1.9 mmt -37.67 -56.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -63.05 -39.69 95.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.589 HD21 HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -60.45 -31.84 70.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.601 HD22 ' CG2' ' A' ' 23' ' ' VAL . 5.6 mt -83.72 -46.32 12.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' GLY . 6.5 mttm -51.65 -51.79 53.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.1 t -43.23 -43.21 4.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.534 ' HB3' HG11 ' A' ' 88' ' ' VAL . 21.4 m-85 -90.94 39.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -72.73 128.24 12.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.16 18.84 78.22 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.613 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.7 mt-10 -130.2 124.21 32.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 3.3 tt0 -60.2 122.25 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 86' ' ' GLU . 12.7 m -124.21 164.97 21.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.03 99.17 8.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.475 ' HE2' ' HB3' ' A' ' 90' ' ' MET . 27.0 ttp -93.64 126.71 38.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.543 ' O ' HG22 ' A' ' 61' ' ' VAL . 5.5 mttt -105.17 133.9 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.523 HG22 ' CG ' ' A' ' 17' ' ' ARG . 27.2 m -129.79 153.8 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.433 HG12 ' C ' ' A' ' 15' ' ' PRO . 3.7 m -129.68 141.72 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -86.97 143.81 27.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.578 HD12 ' OH ' ' A' ' 59' ' ' TYR . 1.6 mt -88.93 131.6 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.02 120.09 38.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.01 26.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.4 m -53.37 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 t -174.37 143.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.0 t -82.03 164.48 21.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 89.9 p -168.14 165.38 13.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.36 160.98 43.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.73 88.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.632 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -110.52 166.34 11.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -163.08 63.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 86.4 p -56.04 133.64 52.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.9 74.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.87 34.51 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.5 m 63.05 160.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.6 t -100.52 87.14 3.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.77 -58.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 0.742 . . . . 0.0 109.946 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.6 156.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.45 -68.77 0.55 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -109.41 -60.99 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t 64.16 154.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.09 132.09 5.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -116.92 -35.96 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.973 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 8' ' ' SER . . . 178.55 116.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.8 p -169.8 156.72 6.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -44.47 122.21 2.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -83.25 146.08 28.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.702 ' CH2' HD11 ' A' ' 95' ' ' LEU . 55.1 m95 -130.29 138.54 50.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -76.24 179.13 1.6 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 148.07 34.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.04 131.33 14.12 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 110.963 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.677 ' HD2' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -91.33 161.1 15.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.75 105.68 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.799 HD13 ' HB2' ' A' ' 54' ' ' ALA . 3.5 mt -99.75 151.68 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.49 111.13 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.588 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.475 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 35.9 p90 -156.82 176.98 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.13 113.41 24.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG22 HD22 ' A' ' 80' ' ' LEU . 24.7 t -47.37 165.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.564 ' HB2' HD23 ' A' ' 28' ' ' LEU . 2.5 mt-10 -129.27 81.81 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.21 61.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -175.95 -38.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -159.09 105.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.242 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' A' ' 24' ' ' GLU . 98.2 mt -94.05 145.02 24.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.57 26.71 14.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -171.22 165.95 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -132.96 176.92 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.729 ' HB2' HG13 ' A' ' 73' ' ' VAL . 33.6 mt -118.97 116.92 27.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -114.58 154.37 28.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.96 -162.85 25.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -107.32 -69.71 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.557 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -175.61 139.94 0.58 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.02 132.31 27.16 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.967 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.515 HG23 HD12 ' A' ' 60' ' ' ILE . 33.8 m -52.58 164.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 12.3 mt-30 -119.7 -174.03 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.62 108.88 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' PHE . 27.2 t60 -103.85 78.13 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 5.1 m-85 -37.14 137.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.8 mt -111.45 -31.05 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -132.73 140.67 38.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -38.82 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.77 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -92.35 30.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.58 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.44 ' SG ' ' CB ' ' A' ' 50' ' ' SER . 32.1 p -69.28 -139.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -117.96 -71.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -39.5 -58.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.561 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 8.5 t -47.29 -42.03 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.19 -36.87 84.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -56.89 -61.95 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.77 43.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.799 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -113.55 152.75 29.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -115.86 -173.85 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.6 142.03 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.602 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 83.33 20.49 60.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 46.4 m-20 -76.03 129.32 36.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 0.785 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 27.6 m-85 -104.5 104.88 14.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.515 HD12 HG23 ' A' ' 38' ' ' VAL . 3.3 mt -57.84 130.31 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.444 HG13 HG22 ' A' ' 93' ' ' VAL . 15.3 m -111.64 -32.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 57.2 m -156.44 162.81 39.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.486 HD11 HG21 ' A' ' 60' ' ' ILE . 23.9 mt -146.04 104.09 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 70.51 29.29 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.36 -0.36 77.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.821 HG11 HD21 ' A' ' 79' ' ' LEU . 63.8 t -83.21 152.12 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.9 118.13 23.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 96.7 m -135.07 50.05 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.9 -32.53 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -104.3 -33.14 8.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 107.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 mt -42.95 148.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.431 HG23 ' OE1' ' A' ' 75' ' ' GLU . 68.7 p -88.92 -157.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.729 HG13 ' HB2' ' A' ' 32' ' ' LEU . 51.0 t -80.27 -41.1 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.5 t -64.66 -48.62 74.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.431 ' OE1' HG23 ' A' ' 72' ' ' THR . 1.9 mt-10 -53.68 -65.24 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' LEU . 55.2 t -48.29 -52.84 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.59 ' HG2' HD12 ' A' ' 32' ' ' LEU . 4.0 mmt -47.05 -42.56 18.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -75.26 -24.79 57.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.821 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -78.47 -27.4 46.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.529 HD22 HG22 ' A' ' 23' ' ' VAL . 6.5 mt -87.05 -47.51 8.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -53.42 -50.88 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -46.13 -44.27 15.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.605 ' HB3' HG11 ' A' ' 88' ' ' VAL . 13.5 m-30 -88.97 38.15 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.33 128.24 15.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.42 27.03 73.49 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.712 ' O ' HG13 ' A' ' 88' ' ' VAL . 4.9 mt-10 -133.27 123.29 25.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -59.03 116.38 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 86' ' ' GLU . 10.6 m -122.3 174.2 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.74 98.88 6.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.518 ' SD ' HG13 ' A' ' 92' ' ' VAL . 0.6 OUTLIER -92.24 142.16 27.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 4.9 mptt -116.18 134.96 54.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.518 HG13 ' SD ' ' A' ' 90' ' ' MET . 23.5 m -133.76 147.54 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.444 HG22 HG13 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -121.61 149.79 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -92.67 142.45 27.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.702 HD11 ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -96.54 128.45 43.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.3 OUTLIER -106.5 -167.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.03 24.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.7 t 46.57 -151.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.3 t -123.13 152.74 40.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.51 148.69 52.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.8 104.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.958 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.8 102.41 10.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.965 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.21 155.02 11.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.639 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.46 -54.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.6 tttt 64.37 122.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.72 94.73 3.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -129.54 97.28 0.4 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -48.83 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.4 m 63.5 164.43 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 p -113.76 113.85 25.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -94.35 163.91 13.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.977 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.78 148.12 48.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.76 151.07 21.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -163.68 155.04 16.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 110.03 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.71 142.14 23.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.38 94.44 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.1 p -127.21 139.05 53.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.796 . . . . 0.0 109.972 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.25 103.12 14.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 11' ' ' LYS . 12.4 t -153.64 92.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 10' ' ' SER . 3.0 mttt 37.91 -156.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -123.74 128.59 49.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.689 ' CH2' ' CD1' ' A' ' 95' ' ' LEU . 37.5 m95 -129.1 128.78 44.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 108.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.523 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -60.93 179.07 0.24 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.01 147.61 34.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.542 1.812 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.539 ' HA ' HG13 ' A' ' 93' ' ' VAL . 18.3 Cg_endo -75.01 138.12 22.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.536 ' CG ' HG22 ' A' ' 92' ' ' VAL . 10.3 ptm180 -99.01 161.25 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.32 112.46 3.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.715 HD13 ' HB2' ' A' ' 54' ' ' ALA . 9.8 mt -103.19 153.72 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.21 110.47 6.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.503 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 28.2 p90 -156.94 172.01 19.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -111.68 114.0 26.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 33.8 t -51.31 164.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.48 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 2.3 mt-10 -130.3 85.69 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.47 59.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -170.81 -39.92 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -157.94 102.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -85.33 146.23 27.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.94 24.36 26.84 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -170.83 168.08 7.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.548 HG22 HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -133.44 176.71 8.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.705 ' HB2' HG13 ' A' ' 73' ' ' VAL . 73.5 mt -123.5 123.59 40.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.75 155.37 39.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.8 -164.81 20.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.15 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -103.3 -67.49 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.563 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER 178.8 141.16 0.28 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -75.0 132.54 27.92 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.033 -0.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.463 ' N ' ' HA ' ' A' ' 36' ' ' THR . 22.3 m -55.52 149.42 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.555 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 58.8 mt-30 -106.16 -174.15 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 58' ' ' ASP . 94.8 t -123.13 109.98 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -99.88 71.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.641 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 3.3 m-85 -37.54 134.85 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.548 HD11 HG22 ' A' ' 31' ' ' THR . 58.5 mt -111.37 -39.03 4.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -116.0 137.01 23.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.241 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.28 3.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.417 ' O ' ' O ' ' A' ' 47' ' ' CYS . 24.4 m80 -98.36 30.66 3.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.596 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.482 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.0 p -61.4 -118.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -147.73 -46.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.575 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -61.07 -46.82 89.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.498 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.7 t -61.68 -44.41 97.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.019 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 47' ' ' CYS . 44.6 mt -63.64 -19.7 65.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -74.55 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.484 ' O ' ' CZ ' ' A' ' 17' ' ' ARG . . . 154.99 44.08 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.715 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -119.59 150.9 39.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.797 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' OD2' ' A' ' 58' ' ' ASP . 13.0 mtmt -114.01 -171.54 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.04 148.37 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.539 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 70.92 22.36 78.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.548 ' O ' HG23 ' A' ' 40' ' ' VAL . 42.5 m-20 -72.29 123.09 22.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CE2' HD12 ' A' ' 95' ' ' LEU . 49.1 m-85 -96.55 109.14 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.543 HG21 HD11 ' A' ' 63' ' ' ILE . 4.1 mt -62.65 128.52 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.6 m -110.37 -33.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.476 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -149.25 171.02 17.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.543 HD11 HG21 ' A' ' 60' ' ' ILE . 19.2 mt -155.66 100.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 71.2 24.09 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.33 29.2 22.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.023 HG11 HD21 ' A' ' 79' ' ' LEU . 78.7 t -113.74 156.05 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -76.33 117.85 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.7 m -140.46 46.33 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 108.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.31 -31.12 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -104.99 -32.41 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.008 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.9 mt -44.3 152.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 p -93.91 -162.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 32' ' ' LEU . 39.3 t -72.49 -43.81 62.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.9 t -60.21 -57.76 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.36 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 79' ' ' LEU . 74.7 t -42.29 -56.78 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.9 mmt -43.46 -39.35 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -77.3 -38.67 50.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.023 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -64.78 -24.33 67.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.473 HD22 ' CG2' ' A' ' 23' ' ' VAL . 6.5 mt -87.67 -46.98 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -54.7 -50.2 68.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.1 t -47.11 -30.28 2.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 17.9 m-85 -104.94 38.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.78 129.22 15.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.12 17.84 74.23 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.525 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.8 mt-10 -126.67 128.93 47.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 3.7 tt0 -64.05 121.47 14.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 83' ' ' PHE . 11.5 m -126.11 169.46 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -114.54 99.98 7.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.468 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 37.2 ttp -92.19 133.85 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 7.4 mptt -107.65 136.55 47.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.536 HG22 ' CG ' ' A' ' 17' ' ' ARG . 26.9 m -133.79 162.7 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.539 HG13 ' HA ' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -146.24 173.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -113.72 145.98 40.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.689 ' CD1' ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -89.78 119.76 30.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.08 121.1 44.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.51 155.42 43.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.86 -58.14 3.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.5 m 53.87 103.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.73 146.41 32.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 t -147.43 170.19 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.4 ttm -141.13 170.17 16.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -156.37 172.34 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.6 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.04 159.23 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -137.66 168.8 18.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.0 p -161.25 168.89 23.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.36 94.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -179.22 4.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 72.6 p -93.81 169.1 10.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.5 p -165.84 168.66 15.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.5 p -99.35 140.58 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 0.786 . . . . 0.0 109.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.71 114.42 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.38 -151.61 46.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t 44.29 79.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.753 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 m -78.8 105.09 9.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.24 -139.28 5.93 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.94 134.77 52.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.729 . . . . 0.0 109.972 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.36 156.17 44.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.5 p -72.43 145.09 47.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 141.89 40.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.17 159.21 15.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.5 m95 -134.4 136.64 43.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.019 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -74.77 179.12 1.43 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.95 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 149.16 36.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.01 129.65 12.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HG2' HG23 ' A' ' 92' ' ' VAL . 13.5 ptp180 -92.07 151.64 20.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.39 106.57 3.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.903 HD13 ' HB2' ' A' ' 54' ' ' ALA . 7.5 mt -95.86 151.63 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -138.1 110.46 7.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.47 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 34.0 p90 -157.0 177.04 11.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -118.14 109.04 15.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 40.5 t -42.91 164.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.468 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.2 mt-10 -133.87 103.86 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.5 52.48 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.33 -41.26 0.03 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -152.3 93.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.61 -34.78 70.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 84.74 -1.4 88.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -152.55 165.42 35.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 111.047 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -131.15 176.87 7.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.389 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.519 ' N ' ' OG1' ' A' ' 31' ' ' THR . 66.1 mt -120.09 119.56 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -115.36 167.28 11.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.03 178.77 51.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -88.42 -74.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.537 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -173.65 138.58 0.76 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.03 132.24 26.91 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.983 0.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' N ' ' HA ' ' A' ' 36' ' ' THR . 24.6 m -50.91 173.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 58' ' ' ASP . 6.7 mt-30 -128.09 172.08 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.5 t -104.67 103.17 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -95.7 67.74 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.594 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -49.55 138.67 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -111.7 -42.1 3.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.06 142.14 24.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -20.05 17.35 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -127.4 61.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.63 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 48' ' ' SER . 12.3 p -91.71 -48.49 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER 159.77 -73.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -43.02 -51.78 5.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.3 -38.98 66.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' SER . 5.8 mt -70.52 -26.97 63.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -67.46 -59.38 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.82 43.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.903 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -120.38 178.75 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -154.72 -175.6 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.95 165.68 22.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.545 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 66.43 10.51 53.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 68.1 m-20 -76.98 127.26 32.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 37.3 m-85 -100.07 114.66 28.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.0 mt -65.25 131.18 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.7 m -113.45 -38.41 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 48.1 m -160.1 161.23 33.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.4 mt -138.02 118.0 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.9 -57.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.91 37.82 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.122 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 62' ' ' SER . 75.3 t -126.38 157.58 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.582 0.813 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.78 123.62 28.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.9 m -136.68 48.87 2.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.32 -28.42 8.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -104.71 -34.01 8.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.029 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -43.87 151.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 p -91.13 -158.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.458 HG13 ' HB2' ' A' ' 32' ' ' LEU . 21.7 t -75.85 -45.26 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -61.65 -58.68 7.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.63 -65.21 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' LEU . 84.4 t -51.4 -60.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -38.3 -40.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -74.56 -46.26 40.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -59.29 -22.72 61.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.34 -46.57 9.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -56.82 -48.51 77.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.9 t -46.2 -45.85 17.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.691 ' HB3' HG11 ' A' ' 88' ' ' VAL . 25.7 m-85 -89.21 45.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.12 131.41 11.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.75 72.96 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 88' ' ' VAL . 3.6 mt-10 -133.26 125.64 29.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.41 111.65 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.691 HG11 ' HB3' ' A' ' 83' ' ' PHE . 8.4 m -117.99 175.02 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -119.79 101.81 8.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.415 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 31.2 ttp -92.19 138.04 31.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -114.79 136.4 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.499 HG23 ' HG2' ' A' ' 17' ' ' ARG . 17.9 m -135.6 151.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.34 142.11 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -89.19 140.97 28.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.9 tp -92.33 128.69 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -105.28 -162.83 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.93 164.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 p -87.06 172.36 10.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.9 m 63.35 135.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.7 p 176.41 155.75 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.043 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 m 60.14 162.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -162.64 -50.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 102' ' ' MET . 1.4 m-70 61.01 120.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.582 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -157.98 161.98 38.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -104.91 121.85 44.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.2 p -155.06 -174.97 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.24 95.55 0.24 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -49.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.4 t -112.09 109.07 18.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.1 m -62.63 -56.19 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -138.81 84.48 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 110.028 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -127.95 121.24 29.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.62 119.91 0.63 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.06 146.35 18.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 0.0 109.976 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -79.52 159.51 26.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.4 126.57 7.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.1 p -139.01 -45.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -134.1 179.31 6.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m 63.88 122.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -40.63 128.04 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.15 135.52 33.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.657 ' CH2' HD11 ' A' ' 95' ' ' LEU . 59.3 m95 -122.84 143.14 50.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.028 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -80.89 178.37 2.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.97 151.07 39.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -74.93 129.0 12.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.551 ' CG ' HG22 ' A' ' 92' ' ' VAL . 6.9 ptp180 -89.34 164.64 14.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -113.21 114.35 3.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.123 . . . . 0.0 111.049 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.868 HD13 ' HB2' ' A' ' 54' ' ' ALA . 7.4 mt -108.49 152.28 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.797 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.34 110.79 8.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.605 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.548 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 25.3 p90 -156.72 171.08 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.37 105.54 13.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.611 HG13 HD21 ' A' ' 28' ' ' LEU . 43.1 t -40.12 155.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.517 ' H ' HD23 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -117.71 103.45 10.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.38 51.39 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.356 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.1 -39.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 111.044 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -154.87 86.79 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.611 HD21 HG13 ' A' ' 23' ' ' VAL . 72.4 mt -61.47 -41.45 97.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.35 0.18 65.44 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -153.28 166.81 31.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -127.07 179.09 5.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.539 ' N ' ' OG1' ' A' ' 31' ' ' THR . 56.3 mt -119.63 118.61 31.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.03 163.43 15.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.87 171.78 47.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.62 -70.45 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 0.732 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.514 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -176.06 136.65 0.47 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.439 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.99 132.09 26.39 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.017 0.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.5 HG23 HD12 ' A' ' 60' ' ' ILE . 17.6 m -51.56 178.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -130.54 169.21 15.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -104.44 115.28 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -109.26 100.07 9.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.563 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.677 ' HE1' ' HB3' ' A' ' 49' ' ' ALA . 12.2 m-85 -78.18 108.54 11.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -78.91 -32.1 45.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -126.73 138.14 31.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -17.4 19.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.032 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 47' ' ' CYS . 18.0 m80 -106.39 25.09 11.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.615 ' O ' HD12 ' A' ' 51' ' ' LEU . 4.9 p -61.43 -118.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m -143.65 -63.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.677 ' HB3' ' HE1' ' A' ' 42' ' ' PHE . . . -47.37 -53.14 14.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 t -52.85 -46.95 68.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.049 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 47' ' ' CYS . 21.9 mt -59.79 -44.0 94.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.548 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -44.89 -62.87 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.03 44.45 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.868 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -113.04 -171.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.764 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.46 -171.65 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -92.77 149.31 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 77.69 5.15 86.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.606 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 27.4 m-20 -56.9 122.68 12.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 50.3 m-85 -95.87 107.81 20.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.629 HG21 HD11 ' A' ' 63' ' ' ILE . 4.0 mt -64.4 133.25 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.431 HG12 ' CG ' ' A' ' 69' ' ' LYS . 3.1 m -115.07 -36.7 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 20.6 m -150.46 162.84 39.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.629 HD11 HG21 ' A' ' 60' ' ' ILE . 38.4 mt -149.34 99.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 68.59 46.28 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.49 -0.82 68.23 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.875 HG11 HD21 ' A' ' 79' ' ' LEU . 48.8 t -85.58 164.76 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.769 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.483 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.7 OUTLIER -99.91 121.34 41.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 57.2 m -134.11 28.91 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 108.302 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.431 ' CG ' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -96.64 -24.5 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -107.94 -33.07 7.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 107.955 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.632 ' CD1' HD13 ' A' ' 79' ' ' LEU . 18.6 mt -47.68 152.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.423 HG23 ' OE1' ' A' ' 75' ' ' GLU . 37.1 p -91.0 -144.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.524 HG13 ' HB2' ' A' ' 32' ' ' LEU . 14.4 t -88.25 -45.64 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -50.68 67.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.423 ' OE1' HG23 ' A' ' 72' ' ' THR . 0.5 OUTLIER -50.02 -67.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 79' ' ' LEU . 92.5 t -45.45 -56.32 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 76' ' ' VAL . 2.9 mmt -38.04 -49.33 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -44.41 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.875 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -57.53 -29.01 64.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -88.16 -47.94 8.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -53.78 -50.46 66.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -47.29 -44.18 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.669 ' HB3' HG11 ' A' ' 88' ' ' VAL . 22.6 m-85 -89.77 40.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.2 128.0 9.62 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.07 28.04 72.19 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.626 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.7 mt-10 -135.88 125.92 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -61.12 112.69 2.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.669 HG11 ' HB3' ' A' ' 83' ' ' PHE . 16.4 m -118.94 168.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -112.78 104.12 12.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.446 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 24.9 ttp -92.0 138.75 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' O ' HG22 ' A' ' 61' ' ' VAL . 5.0 mptt -120.97 130.97 54.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.551 HG22 ' CG ' ' A' ' 17' ' ' ARG . 35.6 m -132.87 156.32 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.432 HG12 ' C ' ' A' ' 15' ' ' PRO . 2.6 m -131.19 143.02 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 m -85.18 146.48 27.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.657 HD11 ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -98.35 118.37 34.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -94.55 -165.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.4 t0 178.07 158.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.452 ' O ' HG22 ' A' ' 99' ' ' THR . 0.1 OUTLIER -90.82 -62.32 1.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 98' ' ' SER . 12.6 t 41.81 28.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 98' ' ' SER . 3.6 m -108.05 103.05 12.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.6 p -135.37 161.36 35.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.0 mtm -121.1 153.04 37.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -170.88 115.06 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.579 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -71.86 164.81 25.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.73 122.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.9 p -137.57 157.42 46.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -156.38 81.76 0.16 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.469 1.106 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 148.89 35.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.9 t -78.37 140.62 38.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.37 170.33 4.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t -168.97 149.16 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 p -95.35 111.39 23.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.47 91.92 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.49 -59.3 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 0.753 . . . . 0.0 110.036 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -109.27 118.21 36.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.56 109.92 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.67 86.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.006 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.65 165.75 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t 62.77 167.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.002 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -46.29 133.08 9.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.92 121.43 31.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.573 ' CH2' HD12 ' A' ' 95' ' ' LEU . 37.1 m95 -103.19 139.49 38.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 108.0 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -71.73 179.8 0.91 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.053 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.04 149.77 37.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HA ' HG13 ' A' ' 93' ' ' VAL . 18.5 Cg_endo -74.96 138.63 23.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 23.0 mtp180 -90.91 165.4 13.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.11 99.69 0.93 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.576 1.173 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.421 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.2 mt -96.81 151.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -139.86 110.71 6.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.695 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 39.6 p90 -156.97 175.96 13.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.2 118.44 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.447 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.887 HG13 HD21 ' A' ' 28' ' ' LEU . 77.4 t -53.53 146.65 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.674 ' H ' HD23 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -112.83 109.07 18.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.17 52.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.81 -40.13 0.03 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -156.81 88.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.887 HD21 HG13 ' A' ' 23' ' ' VAL . 66.5 mt -62.91 -27.65 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 86.86 -1.83 87.0 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -153.48 169.14 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.534 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -137.64 176.79 8.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.677 ' HB2' HG13 ' A' ' 73' ' ' VAL . 48.2 mt -120.75 137.64 54.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.54 159.99 40.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.65 -159.65 23.17 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.93 -72.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.774 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.541 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -174.85 138.75 0.62 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.364 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 132.44 27.56 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.981 0.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' N ' ' HA ' ' A' ' 36' ' ' THR . 26.8 m -49.97 159.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 58' ' ' ASP . 0.9 OUTLIER -113.75 -179.78 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.6 t -119.2 108.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -99.8 85.64 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 1.9 m-85 -56.52 135.01 54.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 mt -115.38 -46.31 2.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -103.36 126.14 33.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.72 14.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -133.07 63.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.556 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.494 ' C ' HD12 ' A' ' 51' ' ' LEU . 6.3 p -119.03 162.49 18.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 108.295 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.4 m -50.09 -62.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.761 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -40.6 -66.98 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.415 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 8.7 t -48.53 -53.94 16.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 47' ' ' CYS . 10.6 mt -51.9 -27.58 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -66.35 -50.19 64.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.48 43.57 0.11 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.562 ' HB3' ' HZ ' ' A' ' 42' ' ' PHE . . . -105.71 165.97 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.29 168.53 19.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.36 156.03 35.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.59 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 73.89 15.76 79.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 57.7 m-20 -79.82 134.3 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 27.1 m-85 -107.32 111.64 24.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.503 HG22 ' CB ' ' A' ' 68' ' ' CYS . 66.2 mt -61.54 134.94 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.577 HG12 ' HG3' ' A' ' 69' ' ' LYS . 1.4 m -117.46 -38.16 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 3.4 m -153.36 162.37 41.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.1 mt -145.83 104.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 68.69 32.21 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.95 -15.97 61.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.713 HG11 HD21 ' A' ' 79' ' ' LEU . 79.1 t -74.02 160.58 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.404 ' N ' HG12 ' A' ' 66' ' ' VAL . 1.6 t0 -88.9 134.35 33.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.503 ' CB ' HG22 ' A' ' 60' ' ' ILE . 56.0 m -145.73 32.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.577 ' HG3' HG12 ' A' ' 61' ' ' VAL . 5.8 ttmm -103.52 -28.27 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -107.93 -20.16 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 107.981 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.5 mt -60.87 150.78 31.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.4 p -85.74 -161.57 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.677 HG13 ' HB2' ' A' ' 32' ' ' LEU . 75.3 t -76.07 -39.22 36.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -69.89 -56.9 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.62 -67.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' LEU . 66.8 t -44.81 -60.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.0 mmt -39.26 -63.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -51.47 -34.97 37.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.713 HD21 HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -67.7 -29.68 69.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 77' ' ' MET . 4.9 mt -78.26 -47.39 18.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -51.16 -52.11 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.3 t -44.2 -37.59 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.653 ' HB3' HG11 ' A' ' 88' ' ' VAL . 22.2 m-85 -98.17 38.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -71.63 125.72 11.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.094 . . . . 0.0 110.962 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.27 32.77 83.07 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.745 ' O ' HG13 ' A' ' 88' ' ' VAL . 4.4 mt-10 -136.81 123.51 21.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.94 115.0 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.745 HG13 ' O ' ' A' ' 86' ' ' GLU . 15.6 m -121.92 164.53 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -111.07 102.09 10.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.2 ttp -91.55 142.94 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 17' ' ' ARG . 1.4 mtmt -124.99 132.24 53.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 31.8 m -131.84 162.05 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -140.3 139.88 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.15 135.0 33.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.989 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.573 HD12 ' CH2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -82.74 130.26 35.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mt -123.43 -170.09 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -161.38 165.16 29.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.45 -64.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 t -76.6 157.43 31.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.41 95.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.91 122.84 22.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.59 151.55 49.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -162.3 147.17 12.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.483 1.114 . . . . 0.0 109.575 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 t30 179.05 123.28 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.72 140.7 52.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.2 p -178.61 143.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.06 143.43 3.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -178.74 4.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.04 121.57 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.02 167.49 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.62 158.4 43.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.69 158.66 34.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.17 -152.4 17.27 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -124.3 146.79 48.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.966 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -162.13 111.17 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.044 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.18 -81.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.1 p 178.95 84.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.12 94.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.3 t -168.74 148.03 4.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.055 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 153.34 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.85 145.04 37.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -121.05 127.3 51.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 107.987 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -63.69 178.63 0.39 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.96 147.92 34.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.459 1.768 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -74.95 147.51 34.26 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.636 ' HG3' HG22 ' A' ' 92' ' ' VAL . 2.3 ptp85 -111.19 127.53 55.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.32 103.56 2.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' A' ' 54' ' ' ALA . 2.6 mt -95.61 146.35 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.43 111.31 13.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.567 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.483 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 23.6 p90 -156.73 173.7 16.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -110.82 135.34 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.926 HG12 ' H ' ' A' ' 25' ' ' GLU . 87.5 t -67.41 135.51 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.3 mp0 -80.71 5.35 15.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.926 ' H ' HG12 ' A' ' 23' ' ' VAL . 3.4 pt-20 32.69 58.19 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 134.98 -46.44 1.04 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 1.8 m-20 -103.82 49.95 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.919 HD21 HG13 ' A' ' 23' ' ' VAL . 14.2 mt -48.2 -34.68 10.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.2 -0.02 74.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -159.74 175.02 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -134.83 177.06 8.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.685 ' HB2' HG13 ' A' ' 73' ' ' VAL . 19.0 mt -118.78 133.95 55.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -130.59 155.79 45.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.84 -159.88 20.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -110.47 -69.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.547 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -176.88 138.99 0.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.0 132.71 28.47 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.994 -2.502 . . . . 0.0 110.997 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.46 ' N ' ' HA ' ' A' ' 36' ' ' THR . 22.2 m -54.4 147.32 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.597 ' OE1' ' CE2' ' A' ' 59' ' ' TYR . 3.9 mt-30 -101.85 -173.51 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -119.09 106.27 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -93.81 65.6 3.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.585 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.509 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 1.4 m-85 -44.18 133.41 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.4 mt -116.9 -41.61 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -108.7 114.26 58.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 0.77 8.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.768 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -122.29 37.25 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.616 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.529 ' C ' HD12 ' A' ' 51' ' ' LEU . 28.3 p -101.83 159.08 15.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' ALA . 13.0 p -48.73 -58.93 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.741 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -39.31 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -47.69 -52.8 17.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.529 HD12 ' C ' ' A' ' 47' ' ' CYS . 13.4 mt -51.72 -25.72 7.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -69.77 -56.61 6.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.68 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -113.23 167.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -145.24 159.64 42.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.23 170.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.555 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 64.14 12.8 51.31 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 32.8 m-20 -81.53 133.3 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.597 ' CE2' ' OE1' ' A' ' 39' ' ' GLN . 17.3 m-85 -104.96 114.56 28.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.8 mt -65.74 128.18 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.2 m -109.83 -39.53 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 39.2 m -157.28 167.39 30.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.573 HD13 ' HG ' ' A' ' 80' ' ' LEU . 97.0 mt -141.62 114.87 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.19 -57.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.81 36.69 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.142 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' SER . 67.3 t -125.44 157.46 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.85 122.62 27.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.6 m -134.66 46.37 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 108.319 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.19 -28.39 9.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -106.44 -36.4 6.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 107.996 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.5 mt -40.45 151.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.9 p -89.58 -159.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.685 HG13 ' HB2' ' A' ' 32' ' ' LEU . 7.5 t -79.21 -32.06 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -73.09 -61.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.046 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.98 -58.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' LEU . 82.8 t -56.3 -60.56 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.584 ' HG2' HD12 ' A' ' 32' ' ' LEU . 3.8 mmt -37.99 -39.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.047 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -75.47 -47.1 28.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -57.49 -22.67 45.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HG ' HD13 ' A' ' 63' ' ' ILE . 3.9 mt -88.75 -48.62 7.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 84' ' ' GLY . 21.5 mttt -56.38 -47.27 79.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.7 t -45.57 -35.55 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 29.4 m-85 -95.77 35.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.464 ' CA ' ' HB3' ' A' ' 25' ' ' GLU . . . -60.85 126.64 41.34 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.32 35.31 90.76 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.74 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.0 mm-40 -139.16 122.97 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.2 123.38 13.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.74 HG13 ' O ' ' A' ' 86' ' ' GLU . 9.5 m -126.79 168.92 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.359 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -116.91 99.05 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.462 ' SD ' HG13 ' A' ' 92' ' ' VAL . 0.1 OUTLIER -92.69 133.69 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.83 137.57 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.636 HG22 ' HG3' ' A' ' 17' ' ' ARG . 34.0 m -137.15 150.01 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -132.55 168.12 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.0 m -107.71 151.79 25.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.1 tp -102.7 128.99 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 mt -122.82 128.33 50.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.02 168.92 9.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -60.83 3.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.9 t -170.89 163.95 7.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 p -156.2 159.11 38.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.065 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.5 t -177.67 146.49 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.69 127.25 32.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.61 141.05 52.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -177.93 117.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.55 121.99 11.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.81 158.52 39.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 142.87 97.2 0.26 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.17 6.34 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.466 1.772 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.94 136.93 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 53.7 p -177.79 139.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.949 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.4 p -78.32 64.04 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.987 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 m -137.75 130.22 29.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.54 114.29 5.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -135.8 114.56 11.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.1 p -161.07 159.12 28.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.73 -145.08 7.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.89 84.99 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.2 74.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -176.28 151.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' SER . 10.1 mttp -40.65 138.11 1.03 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.22 129.41 52.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.533 ' CZ2' HD13 ' A' ' 95' ' ' LEU . 55.4 m95 -119.01 154.97 32.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -88.48 179.45 1.65 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.2 Cg_endo -75.05 148.33 34.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -75.03 129.34 12.22 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.513 ' HG2' HG23 ' A' ' 92' ' ' VAL . 13.4 ptp180 -84.8 158.67 20.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.9 105.32 2.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.643 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.7 mt -99.86 148.92 6.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.767 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -140.61 110.78 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.476 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 36.0 p90 -157.0 177.5 11.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -115.21 122.44 46.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.436 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 39.6 t -57.06 165.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 28.2 mt-10 -131.34 85.61 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -69.62 57.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -171.06 -39.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -157.99 100.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 24' ' ' GLU . 69.3 mt -84.93 147.43 26.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -93.44 23.44 30.12 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -171.34 176.26 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.534 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -143.1 176.66 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.412 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.534 ' N ' ' OG1' ' A' ' 31' ' ' THR . 44.6 mt -124.59 124.55 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.0 163.74 24.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.17 -154.64 21.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.03 -79.2 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.548 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.5 t -170.96 139.88 1.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.5 Cg_endo -74.92 132.73 28.5 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.007 -0.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.501 HG12 HG23 ' A' ' 73' ' ' VAL . 15.6 m -54.93 142.72 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' A' ' 58' ' ' ASP . 1.4 mt-30 -96.08 -172.58 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.1 t -125.44 115.65 44.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -106.74 87.49 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.545 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.56 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 5.7 m-85 -57.86 128.84 39.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.1 mt -103.9 -29.26 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.06 128.45 24.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -9.71 20.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -131.61 65.73 1.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.473 ' CB ' ' HA3' ' A' ' 29' ' ' GLY . 1.2 p -108.32 -104.58 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 108.326 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' ALA . 40.6 m -146.75 -55.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -53.8 -45.04 70.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.7 t -64.29 -49.37 72.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 47' ' ' CYS . 45.1 mt -65.81 -21.25 66.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -68.16 -61.27 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.08 43.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.643 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -121.86 157.53 30.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 pttm -132.84 169.04 17.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -69.25 131.69 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.561 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 94.79 19.26 32.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 76.0 m-20 -83.22 133.03 35.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 20.3 m-85 -105.82 113.87 27.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.6 mt -61.4 127.83 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.515 ' CG1' HG22 ' A' ' 93' ' ' VAL . 31.0 m -113.11 -35.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 61.2 m -159.64 155.11 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.419 HD13 ' HG ' ' A' ' 80' ' ' LEU . 69.8 mt -135.32 113.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 75.3 -55.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.25 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.73 36.92 0.05 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 62' ' ' SER . 64.3 t -126.12 161.82 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -89.9 115.14 26.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.447 ' SG ' HD12 ' A' ' 71' ' ' LEU . 29.1 m -124.18 39.1 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.15 -25.47 14.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -104.6 -34.91 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.447 HD12 ' SG ' ' A' ' 68' ' ' CYS . 14.9 mt -48.53 158.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 76' ' ' VAL . 9.6 p -99.83 -152.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.501 HG23 HG12 ' A' ' 38' ' ' VAL . 3.1 t -78.62 -42.02 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -39.43 -57.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' LEU . 81.9 t -57.59 -54.85 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.421 ' SD ' ' CE ' ' A' ' 81' ' ' LYS . 1.7 mmt -42.29 -44.68 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -71.84 -36.14 70.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -66.96 -23.47 65.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 80' ' ' LEU . 6.9 mt -89.81 -47.35 7.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.421 ' CE ' ' SD ' ' A' ' 77' ' ' MET . 14.0 mttt -57.86 -48.44 79.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -47.11 -38.87 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.606 ' HB3' HG11 ' A' ' 88' ' ' VAL . 23.0 m-85 -94.55 39.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.36 129.74 23.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.0 33.71 86.53 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.798 ' O ' HG13 ' A' ' 88' ' ' VAL . 3.5 mt-10 -137.03 121.19 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.27 113.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 86' ' ' GLU . 5.1 m -118.81 177.78 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.24 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -126.33 98.54 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 44.5 ttp -95.94 126.95 41.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 61' ' ' VAL . 21.7 mtpt -106.22 141.25 37.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.513 HG23 ' HG2' ' A' ' 17' ' ' ARG . 10.6 m -136.32 156.66 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.515 HG22 ' CG1' ' A' ' 61' ' ' VAL . 3.9 m -130.12 167.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.64 132.18 53.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.533 HD13 ' CZ2' ' A' ' 13' ' ' TRP . 11.1 tp -80.79 122.16 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -115.2 123.7 49.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.18 164.62 12.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.8 m -66.72 -178.19 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.8 t -98.11 154.59 17.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.09 161.31 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.38 129.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -149.01 125.28 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -134.96 170.98 15.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 0.0 109.633 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 172.54 158.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.03 167.08 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.59 163.22 12.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.43 95.07 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -179.32 4.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.01 170.91 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.71 -59.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.23 133.05 34.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -94.82 -58.11 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.956 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.7 99.9 0.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -159.95 118.89 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.974 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m 60.49 113.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.064 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.41 -66.81 0.32 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.5 t 62.21 104.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 109.963 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.24 105.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.92 130.74 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -85.11 123.68 30.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.63 133.08 33.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -118.05 154.12 32.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 107.988 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -89.16 179.67 1.53 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.04 151.49 39.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.03 126.61 10.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 91' ' ' LYS . 18.4 mtp180 -85.97 153.43 22.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.45 110.31 3.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.641 HD13 ' HB2' ' A' ' 54' ' ' ALA . 9.8 mt -106.04 151.75 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -140.36 110.41 6.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.579 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 34.1 p90 -157.12 174.44 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -114.18 108.16 16.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.53 HG22 HD22 ' A' ' 80' ' ' LEU . 37.8 t -43.05 164.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.466 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 3.6 mt-10 -126.96 84.68 2.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.06 58.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.28 -40.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -155.68 105.92 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 24' ' ' GLU . 76.3 mt -92.92 147.45 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.9 24.96 30.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -168.93 163.18 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.607 HG22 HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -129.43 176.87 7.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB2' HG13 ' A' ' 73' ' ' VAL . 81.6 mt -120.51 113.6 20.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -113.2 157.2 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.57 -166.19 30.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.08 -71.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.562 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.2 t -175.63 141.31 0.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.04 132.25 26.93 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.992 0.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' N ' ' HA ' ' A' ' 36' ' ' THR . 28.8 m -53.24 156.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.424 ' HG3' ' CD2' ' A' ' 59' ' ' TYR . 4.3 mt-30 -110.94 -171.35 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 58' ' ' ASP . 87.6 t -125.47 112.5 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 42' ' ' PHE . 6.6 t60 -100.08 64.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.583 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.616 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -36.18 126.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.607 HD11 HG22 ' A' ' 31' ' ' THR . 32.4 mt -111.01 -30.04 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -126.58 113.82 22.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 1.08 8.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.457 1.767 . . . . 0.0 111.049 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -144.45 60.76 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.627 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 p -114.99 -50.44 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.517 ' N ' HD12 ' A' ' 51' ' ' LEU . 1.6 m 170.33 -67.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.686 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -41.48 -56.43 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -44.15 75.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 48' ' ' SER . 2.0 mt -66.26 -16.69 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -73.83 -55.5 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.79 44.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -111.52 174.77 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -148.28 166.58 27.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -71.31 139.92 50.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.57 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 87.98 15.62 60.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' O ' HG23 ' A' ' 40' ' ' VAL . 75.4 m-20 -77.9 129.2 35.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 25.1 m-85 -103.09 117.54 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.469 HD12 HG23 ' A' ' 38' ' ' VAL . 9.6 mt -67.33 126.26 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' CYS . 6.8 m -114.06 -38.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.8 m -151.35 162.55 40.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.789 ' H ' HG12 ' A' ' 66' ' ' VAL . 34.9 mt -147.66 106.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 77.38 -0.31 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.42 10.89 10.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.91 HG11 ' CD2' ' A' ' 79' ' ' LEU . 4.3 p -84.49 -177.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.738 ' H ' HG22 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -114.89 93.72 4.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 61' ' ' VAL . 63.8 m -110.08 43.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.7 -24.83 13.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -110.39 -36.43 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.027 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.439 HD12 ' SG ' ' A' ' 68' ' ' CYS . 20.5 mt -41.81 154.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.5 p -94.15 -151.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.564 HG13 ' HB2' ' A' ' 32' ' ' LEU . 52.9 t -82.72 -51.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 t -55.03 -44.98 75.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.41 -71.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.454 HG12 HD11 ' A' ' 32' ' ' LEU . 55.0 t -40.98 -59.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.4 mmt -37.75 -51.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -67.44 -41.07 85.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.91 ' CD2' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -59.0 -31.0 68.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.53 HD22 HG22 ' A' ' 23' ' ' VAL . 6.7 mt -84.72 -46.17 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -53.99 -50.94 65.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 t -47.79 -43.39 27.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.699 ' HB3' HG11 ' A' ' 88' ' ' VAL . 16.0 m-30 -89.74 42.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.61 134.01 15.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.5 23.98 65.41 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.634 ' O ' HG13 ' A' ' 88' ' ' VAL . 4.0 mt-10 -127.92 125.93 40.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 0.801 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.48 110.19 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.699 HG11 ' HB3' ' A' ' 83' ' ' PHE . 4.5 m -116.19 175.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -121.5 99.66 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -91.99 137.71 32.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -114.61 137.64 51.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.503 ' CG1' ' SD ' ' A' ' 90' ' ' MET . 15.5 m -133.64 149.15 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.432 HG12 ' C ' ' A' ' 15' ' ' PRO . 2.3 m -128.56 140.63 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -86.03 145.42 27.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.4 tp -97.23 129.86 44.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -113.18 127.56 56.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -146.15 153.37 40.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 p -71.39 178.2 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.4 m -151.56 116.76 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.8 t -103.22 167.82 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.91 168.14 27.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.61 133.45 23.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -93.64 159.21 15.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.12 142.06 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 142.09 37.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.51 163.63 15.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.93 136.63 12.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -177.71 3.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.9 m -132.22 167.18 20.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.943 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 72.0 p -128.49 152.57 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 111.051 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t 178.08 85.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.747 . . . . 0.0 109.985 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -155.3 146.02 22.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.43 144.77 4.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.565 1.165 . . . . 0.0 111.038 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.01 147.5 29.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -171.84 134.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.05 83.18 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.9 m -135.76 112.31 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.63 70.38 6.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.38 145.66 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -49.33 126.4 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.374 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.94 129.08 35.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -115.8 151.61 34.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.001 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -85.39 174.78 5.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.481 ' C ' HG12 ' A' ' 93' ' ' VAL . 18.2 Cg_endo -74.98 155.01 42.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 142.03 27.16 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.578 ' HG3' HG22 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -108.67 130.2 55.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.35 99.73 2.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.464 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.4 mt -90.21 150.04 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 0.795 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 110.62 10.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.629 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.586 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 27.8 p90 -157.14 171.01 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.23 119.9 39.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG13 HD21 ' A' ' 28' ' ' LEU . 58.4 t -58.64 145.34 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.6 115.17 23.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.36 47.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.99 -42.47 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 111.052 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -151.13 97.58 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.445 HD21 HG13 ' A' ' 23' ' ' VAL . 54.2 mt -73.65 -24.59 60.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.34 -1.9 63.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -151.48 176.84 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -145.03 177.3 8.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.536 ' N ' ' OG1' ' A' ' 31' ' ' THR . 22.7 mt -133.21 128.68 36.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.584 ' HG3' ' CE1' ' A' ' 41' ' ' HIS . 0.7 OUTLIER -87.09 160.79 18.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.52 110.01 2.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 175.82 -165.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.475 ' HA ' ' N ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -168.47 127.94 1.0 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.0 128.09 15.72 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.986 0.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' N ' ' HA ' ' A' ' 36' ' ' THR . 14.7 m -40.63 136.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 62.9 mt-30 -106.42 146.32 30.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.9 t -82.18 136.97 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.584 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 6.5 m-70 -126.57 70.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.562 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.675 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 9.7 m-85 -38.41 133.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 43' ' ' LEU . 13.6 mt -107.91 -26.53 10.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.95 130.7 24.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -7.52 19.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -125.52 58.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.613 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.447 ' C ' HD12 ' A' ' 51' ' ' LEU . 12.8 p -113.83 153.3 29.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.252 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -48.01 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.755 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -40.48 -62.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -52.73 -47.54 67.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.01 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.447 HD12 ' C ' ' A' ' 47' ' ' CYS . 5.9 mt -62.9 -17.76 62.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -71.97 -57.79 4.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.4 44.47 0.03 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.705 ' HB1' ' OD2' ' A' ' 58' ' ' ASP . . . -115.56 166.57 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 0.728 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -129.39 -171.74 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.81 135.74 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 88.38 14.01 62.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.705 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 45.2 m-20 -60.87 125.3 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.602 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 60.6 m-85 -98.94 98.36 9.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 68' ' ' CYS . 36.0 mt -56.1 133.75 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 91' ' ' LYS . 4.4 m -116.44 -37.68 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 40.0 m -161.05 156.95 25.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.418 HD13 ' HG ' ' A' ' 80' ' ' LEU . 87.9 mt -132.54 112.23 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 74.38 -56.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.7 36.59 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 62' ' ' SER . 57.1 t -125.55 153.67 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.367 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.0 124.08 28.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.415 ' SG ' HD12 ' A' ' 71' ' ' LEU . 95.3 m -136.09 53.42 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 108.286 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -106.91 -36.5 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 71' ' ' LEU . 4.7 m95 -103.85 -33.65 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.052 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.415 HD12 ' SG ' ' A' ' 68' ' ' CYS . 16.7 mt -39.5 149.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.5 p -90.41 -158.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 12.6 t -74.71 -51.57 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 t -55.8 -58.22 8.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.44 -55.28 3.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' LEU . 53.4 t -63.76 -61.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -39.65 -45.9 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -65.44 -44.07 88.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.463 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -63.02 -23.8 67.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HG ' HD13 ' A' ' 63' ' ' ILE . 5.1 mt -86.56 -47.5 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 84' ' ' GLY . 19.9 mttt -56.91 -49.31 75.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.6 t -44.06 -37.81 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.515 ' HB3' HG11 ' A' ' 88' ' ' VAL . 25.0 m-85 -95.5 40.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -71.43 126.84 13.34 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.5 21.53 77.6 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.615 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.2 mt-10 -131.73 123.06 26.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 0.731 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 2.4 tt0 -60.44 123.48 17.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 86' ' ' GLU . 6.2 m -124.68 171.83 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -115.68 100.86 8.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.432 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 34.2 ttp -92.16 136.89 32.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -115.33 128.57 56.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.578 HG22 ' HG3' ' A' ' 17' ' ' ARG . 34.3 m -133.77 154.53 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.481 HG12 ' C ' ' A' ' 15' ' ' PRO . 3.6 m -133.81 163.55 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -104.88 165.68 10.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.426 ' C ' HD13 ' A' ' 96' ' ' LEU . 37.6 tp -114.19 126.7 55.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -112.11 126.33 55.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.59 152.88 36.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -57.65 164.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.3 m -113.29 124.31 52.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.7 p -126.1 155.13 42.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.15 123.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.68 145.48 3.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.46 166.3 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.633 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -170.22 161.0 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.72 155.15 41.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.69 152.21 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.103 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 153.31 84.23 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -67.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.769 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.04 136.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 t -150.69 154.58 37.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.73 90.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.01 151.15 45.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.27 175.38 25.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.74 117.51 9.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.6 p -127.51 112.94 15.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.953 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.04 -105.81 3.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p -137.63 86.92 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -155.63 141.68 18.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.06 155.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -54.44 135.56 45.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -92.29 124.72 36.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.533 ' CE2' HD13 ' A' ' 95' ' ' LEU . 61.7 m95 -118.99 150.3 40.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -80.89 173.31 7.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.993 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.47 ' C ' HG12 ' A' ' 93' ' ' VAL . 18.3 Cg_endo -74.97 147.85 34.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.01 128.8 11.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.505 ' HG2' HG23 ' A' ' 92' ' ' VAL . 9.5 ptp180 -91.44 160.97 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.02 114.39 4.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.426 1.079 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.458 HD13 ' HB2' ' A' ' 54' ' ' ALA . 3.1 mt -109.02 154.6 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.555 0.797 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -139.82 110.3 6.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.674 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 34.9 p90 -157.41 174.53 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -109.57 128.23 55.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 40.8 t -66.38 165.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.482 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.4 mm-40 -131.05 84.69 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.43 59.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -170.92 -39.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -157.34 107.49 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.24 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 99.6 mt -95.25 146.3 24.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -90.54 19.87 41.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -166.75 176.1 7.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 0.795 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -143.88 177.01 8.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.533 ' N ' ' OG1' ' A' ' 31' ' ' THR . 49.4 mt -116.21 123.12 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -121.27 156.96 31.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.9 -165.35 30.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -101.86 -72.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.562 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.7 t -174.61 140.79 0.72 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 133.49 31.67 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.055 -2.477 . . . . 0.0 110.942 0.026 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.454 ' N ' ' HA ' ' A' ' 36' ' ' THR . 19.6 m -55.11 152.9 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' NE2' ' CE2' ' A' ' 59' ' ' TYR . 2.6 mt-30 -106.65 -169.98 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 50.0 t -123.04 103.55 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -96.35 67.14 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.627 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.449 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 1.4 m-85 -41.57 137.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -111.82 -35.59 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -113.34 128.05 26.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.79 11.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.431 ' HA ' HD21 ' A' ' 51' ' ' LEU . 24.1 m80 -136.68 64.07 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.544 ' O ' ' C ' ' A' ' 48' ' ' SER . 5.4 p -120.95 141.95 50.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.544 ' C ' ' O ' ' A' ' 47' ' ' CYS . 0.4 OUTLIER -28.0 -64.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.53 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -38.36 -56.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 47' ' ' CYS . 9.5 t -63.62 -47.42 81.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -53.96 -25.13 19.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.674 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -72.48 -58.5 3.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.81 44.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -109.43 163.97 12.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -141.44 172.98 11.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.97 172.91 9.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 59.38 19.63 47.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 48.1 m-20 -89.15 130.33 35.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.46 ' CE2' ' NE2' ' A' ' 39' ' ' GLN . 14.2 m-85 -105.58 115.34 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.4 ' CD1' HG23 ' A' ' 38' ' ' VAL . 2.6 mp -65.65 127.65 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.7 m -109.6 -39.48 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 71.0 m -154.21 160.26 41.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.452 HD13 ' HG ' ' A' ' 80' ' ' LEU . 90.3 mt -138.23 114.07 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 75.35 -57.12 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.64 37.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 62' ' ' SER . 62.9 t -124.14 162.89 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.44 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -90.85 114.72 27.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.843 ' SG ' HD12 ' A' ' 71' ' ' LEU . 53.1 m -126.87 49.94 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 108.253 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.74 -8.8 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -132.55 10.68 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.843 HD12 ' SG ' ' A' ' 68' ' ' CYS . 30.0 mt -87.24 155.04 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.9 p -86.94 -168.64 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.7 t -75.98 -27.34 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -79.43 -53.85 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -44.88 -63.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 79' ' ' LEU . 71.8 t -51.45 -54.23 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 mmt -46.85 -29.26 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -33.42 22.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -71.81 -22.94 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HG ' HD13 ' A' ' 63' ' ' ILE . 9.9 mt -88.72 -49.86 6.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' GLY . 18.9 mttm -54.83 -48.26 73.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -45.96 -42.13 12.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.624 ' HB3' HG11 ' A' ' 88' ' ' VAL . 24.8 m-85 -92.21 35.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -62.05 136.28 45.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 53.64 27.93 36.37 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.772 ' O ' HG13 ' A' ' 88' ' ' VAL . 1.6 mt-10 -128.99 121.02 27.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.56 119.61 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.772 HG13 ' O ' ' A' ' 86' ' ' GLU . 5.2 m -128.5 174.6 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.81 100.44 7.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.624 ' SD ' HG13 ' A' ' 92' ' ' VAL . 0.1 OUTLIER -92.11 140.61 29.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -113.96 138.54 50.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.624 HG13 ' SD ' ' A' ' 90' ' ' MET . 15.6 m -135.86 155.45 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.47 HG12 ' C ' ' A' ' 15' ' ' PRO . 3.2 m -135.64 159.86 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.59 133.39 46.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.047 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.533 HD13 ' CE2' ' A' ' 13' ' ' TRP . 20.4 tp -89.62 114.18 25.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.437 ' N ' HD13 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -94.6 -161.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.39 178.24 7.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 p -103.11 -179.46 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.1 m -82.77 140.1 33.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.373 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.0 p -133.97 139.0 45.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.64 133.47 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.051 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.9 ttm 57.61 157.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.42 -59.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.558 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.75 154.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -135.3 154.51 51.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -102.81 158.85 15.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -120.54 97.12 0.63 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.03 10.46 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.46 135.26 33.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.032 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.6 t -106.1 160.98 14.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.27 161.27 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.93 -58.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.12 -163.23 24.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 t -80.66 124.19 28.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -155.11 144.42 21.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.2 119.3 6.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -67.71 118.42 10.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.73 88.68 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.78 134.92 35.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.13 158.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.7 141.08 47.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CH2' ' HG ' ' A' ' 95' ' ' LEU . 40.4 m95 -120.87 155.78 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.536 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -86.57 179.94 1.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.05 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.5 Cg_endo -75.0 148.86 35.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -74.93 149.71 37.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.622 ' HG3' HG22 ' A' ' 92' ' ' VAL . 1.3 ptp85 -109.05 125.59 52.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.358 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.4 103.48 1.84 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.487 HD13 ' HB2' ' A' ' 54' ' ' ALA . 5.4 mt -96.08 148.75 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -131.75 110.39 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.606 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 39.6 p90 -157.31 172.66 18.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.45 120.75 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.765 HG13 HD21 ' A' ' 28' ' ' LEU . 54.1 t -59.98 148.88 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.657 ' H ' HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -121.64 115.07 22.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.466 ' CG ' ' HA3' ' A' ' 84' ' ' GLY . 9.6 mt-10 -79.46 52.14 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.29 -38.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.69 92.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.765 HD21 HG13 ' A' ' 23' ' ' VAL . 71.1 mt -73.23 -38.36 66.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.65 6.5 59.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 28' ' ' LEU . 5.5 p90 -167.12 161.32 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -128.64 177.44 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.542 ' N ' ' OG1' ' A' ' 31' ' ' THR . 15.2 mt -125.71 143.14 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.502 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 1.9 mmt180 -96.41 159.85 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -72.27 112.23 3.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.516 ' C ' ' CG2' ' A' ' 36' ' ' THR . 1.4 m120 158.85 -177.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.516 ' CG2' ' C ' ' A' ' 35' ' ' ASN . 1.5 p -154.43 129.04 4.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.02 135.24 39.6 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.006 0.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 15.9 m -52.75 141.62 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.528 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 38.2 mt-30 -91.65 -175.28 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.3 t -123.76 121.14 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' PHE . 12.1 t60 -110.99 66.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.763 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -36.62 142.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD11 HG22 ' A' ' 31' ' ' THR . 63.7 mt -117.52 -39.46 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.374 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.43 115.18 42.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.37 7.83 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.429 1.752 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -132.67 44.71 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.4 172.66 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 108.324 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . 47.4 m -53.11 -67.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.735 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -40.16 -66.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.475 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . 1.9 t -44.5 -58.22 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 mt -51.75 -42.96 62.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -42.91 -67.63 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.95 44.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.763 ' HB3' ' HZ ' ' A' ' 42' ' ' PHE . . . -105.79 177.53 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.54 177.03 8.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -88.97 120.76 30.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 110.08 -12.66 31.6 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 74.2 m-20 -39.73 137.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.678 ' CE2' HD12 ' A' ' 95' ' ' LEU . 21.9 m-85 -111.08 98.88 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.687 ' HA ' HG12 ' A' ' 92' ' ' VAL . 84.5 mt -49.8 117.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.7 p -107.23 -26.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 73.8 m -167.18 161.36 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.455 HD13 ' HG ' ' A' ' 80' ' ' LEU . 62.9 mt -144.91 113.97 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 69.94 6.57 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.95 4.82 33.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.434 HG11 HD11 ' A' ' 79' ' ' LEU . 85.3 t -85.52 152.04 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.78 114.95 19.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.438 ' SG ' HD12 ' A' ' 71' ' ' LEU . 64.7 m -131.71 56.57 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 -29.83 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -107.58 -34.09 7.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.438 HD12 ' SG ' ' A' ' 68' ' ' CYS . 11.5 mt -41.17 145.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 50.8 p -90.35 -172.42 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 9.8 t -61.55 -45.99 97.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.2 p -61.14 -63.64 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -40.0 -62.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 110.267 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 79' ' ' LEU . 53.6 t -51.03 -61.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.451 ' HE3' ' HG ' ' A' ' 32' ' ' LEU . 4.1 mmt -39.43 -50.92 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -60.72 -43.44 97.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -61.16 -28.73 69.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.491 HD22 HG22 ' A' ' 23' ' ' VAL . 6.2 mt -84.33 -47.15 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' GLY . 8.4 mttt -54.44 -48.56 71.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.3 t -44.99 -37.33 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.518 ' CB ' HG11 ' A' ' 88' ' ' VAL . 19.6 m-85 -94.87 35.6 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.466 ' HA3' ' CG ' ' A' ' 25' ' ' GLU . . . -68.6 121.42 12.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.12 21.92 66.7 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -136.31 138.43 41.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 2.9 tt0 -72.11 128.83 36.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.518 HG11 ' CB ' ' A' ' 83' ' ' PHE . 10.9 m -131.41 165.46 31.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.0 102.94 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.9 ttp -92.09 139.45 30.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.45 126.95 50.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 60' ' ' ILE . 33.6 m -133.27 141.28 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.8 m -115.24 151.03 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 t -85.58 165.72 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.945 ' C ' HD13 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -114.37 125.54 53.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.945 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -118.0 126.29 52.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -133.79 146.31 50.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.9 m -58.89 178.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 13.5 t -100.08 154.36 18.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.61 134.12 22.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.0 p -178.26 149.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.8 ptm -136.62 158.02 45.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -152.5 153.28 33.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.643 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -169.69 156.15 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 146.54 33.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.74 98.03 4.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 158.7 126.57 0.87 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 145.37 31.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.538 1.809 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.82 144.74 32.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 109.978 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -102.65 169.5 8.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m 62.97 132.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.59 163.57 4.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.92 85.38 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -157.66 123.79 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -163.25 96.47 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.66 113.2 5.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.4 t -124.51 147.36 48.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.46 62.23 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.4 p -113.33 176.64 4.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.039 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.11 168.09 14.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -127.03 141.68 51.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.626 ' CZ2' HD13 ' A' ' 95' ' ' LEU . 56.1 m95 -122.2 150.06 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -83.25 178.49 2.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.95 147.79 34.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.5 Cg_endo -75.01 133.15 16.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 92' ' ' VAL . 13.0 ptp180 -95.68 150.7 20.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.95 109.11 3.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.733 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.3 mt -99.49 151.46 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.85 110.57 7.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.611 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.708 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 25.2 p90 -156.97 173.23 17.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.2 106.94 15.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.1 t -41.37 156.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.96 98.65 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.39 54.18 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.08 -37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.4 80.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.5 mt -54.17 -42.04 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.09 3.75 69.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -159.32 174.17 15.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.576 HG22 ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -132.31 178.72 6.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.448 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.533 ' N ' ' OG1' ' A' ' 31' ' ' THR . 88.9 mt -124.55 112.37 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.69 166.51 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.66 -177.36 53.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.91 -71.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.523 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.1 t -173.51 138.49 0.77 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.02 132.06 26.32 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.991 0.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.457 ' N ' ' HA ' ' A' ' 36' ' ' THR . 24.3 m -51.09 154.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.479 ' O ' HD23 ' A' ' 32' ' ' LEU . 5.2 mt-30 -101.24 -178.74 3.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -122.42 99.66 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.47 ' HB3' HG23 ' A' ' 31' ' ' THR . 0.7 OUTLIER -95.23 104.51 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.566 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.681 ' HE1' ' HB3' ' A' ' 49' ' ' ALA . 5.7 m-85 -80.58 110.24 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.576 ' CD2' HG22 ' A' ' 31' ' ' THR . 1.3 mm? -85.15 -34.37 22.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -119.83 136.39 24.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.72 5.95 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.511 1.796 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -95.26 29.39 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.627 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.566 ' O ' HD12 ' A' ' 51' ' ' LEU . 6.6 p -62.49 -121.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -144.87 -49.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.681 ' HB3' ' HE1' ' A' ' 42' ' ' PHE . . . -60.91 -52.09 66.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 t -55.36 -36.49 66.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 47' ' ' CYS . 32.2 mt -70.48 -44.57 67.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.708 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -45.16 -65.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 162.59 43.52 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -120.05 172.29 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -137.58 -179.49 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.24 156.81 27.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.514 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 71.17 20.14 77.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -85.6 137.18 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 0.739 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.514 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 18.0 m-85 -108.21 121.9 45.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.33 130.1 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 91' ' ' LYS . 5.9 m -110.4 -36.75 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 58.4 m -152.63 157.37 40.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.994 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.675 ' H ' HG12 ' A' ' 66' ' ' VAL . 11.9 mt -134.86 99.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER 77.89 -3.26 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.267 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 136.42 -30.41 2.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.767 HG11 ' CD2' ' A' ' 79' ' ' LEU . 4.5 p -50.36 178.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.678 ' H ' HG22 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -116.69 100.89 8.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' VAL . 36.9 m -109.18 44.1 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.21 -24.46 13.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -110.23 -39.32 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.406 HD12 ' SG ' ' A' ' 68' ' ' CYS . 32.2 mt -40.75 159.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 76' ' ' VAL . 16.6 p -100.34 -156.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.3 t -76.45 -49.52 24.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 t -53.64 -66.29 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.49 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' LEU . 70.6 t -41.09 -62.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.408 ' HG2' HD12 ' A' ' 32' ' ' LEU . 1.8 mmt -39.0 -49.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -41.58 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.767 ' CD2' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -60.76 -30.7 70.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mt -83.49 -46.03 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -57.3 -41.83 80.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.9 t -54.82 -44.88 74.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.597 ' HB3' HG11 ' A' ' 88' ' ' VAL . 21.5 m-85 -88.68 37.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.21 126.81 10.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.35 27.12 73.18 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.654 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.3 mt-10 -133.29 124.62 27.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.29 111.84 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 86' ' ' GLU . 4.7 m -118.13 -178.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -124.67 101.02 6.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.509 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 31.0 ttp -91.98 135.7 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -113.46 130.87 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 17' ' ' ARG . 28.2 m -128.38 154.74 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.14 168.75 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.68 141.6 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.626 HD13 ' CZ2' ' A' ' 13' ' ' TRP . 16.5 tp -96.37 115.48 27.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -107.12 126.19 52.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.11 153.8 37.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -65.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.2 m 62.44 101.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.6 p -97.44 128.94 44.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.7 163.7 15.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.58 131.56 29.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -144.7 138.42 27.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.618 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -172.94 150.67 2.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.69 162.74 15.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.74 168.11 28.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.95 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.5 96.99 0.1 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 164.96 32.27 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.99 152.91 23.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.1 p -103.94 138.7 40.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -164.73 -58.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -156.74 -58.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.02 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.61 103.34 0.79 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -95.1 147.06 23.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 0.757 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 179.64 155.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.49 -174.1 0.71 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.1 86.9 2.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 0.745 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.23 95.44 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.15 138.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -48.7 119.65 3.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -80.35 124.26 28.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.497 ' CZ3' ' HB2' ' A' ' 95' ' ' LEU . 76.2 m95 -111.25 156.25 21.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.548 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -94.17 -179.63 1.03 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.997 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.98 149.19 36.42 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 151.39 39.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' CD ' ' CG2' ' A' ' 92' ' ' VAL . 11.3 ptp180 -109.75 151.02 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.84 111.04 4.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.728 HD13 ' HB2' ' A' ' 54' ' ' ALA . 5.7 mt -105.54 150.91 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -138.32 111.53 7.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.618 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.494 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 46.5 p90 -153.91 171.69 18.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.588 HG23 ' HA2' ' A' ' 85' ' ' GLY . 1.6 m -111.07 107.33 16.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 41.8 t -43.2 163.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -136.41 110.52 8.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -83.66 49.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.32 -41.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -149.84 90.64 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.1 -25.55 67.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.82 5.56 69.86 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -160.89 163.49 31.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.516 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -129.93 176.89 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.569 ' HB2' HG13 ' A' ' 73' ' ' VAL . 50.2 mt -118.8 150.36 39.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.491 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 12.1 mmt180 -97.39 160.82 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -80.77 108.84 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.522 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 1.1 m120 154.05 -170.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.532 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -156.98 135.66 7.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.449 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.02 130.43 21.28 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.967 0.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.487 ' N ' ' HA ' ' A' ' 36' ' ' THR . 27.7 m -49.49 146.4 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.554 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 1.0 OUTLIER -101.77 -170.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -126.31 119.79 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -102.27 65.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.57 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.598 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 2.7 m-85 -38.4 126.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 43' ' ' LEU . 25.5 mt -109.48 -29.14 8.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -130.33 119.12 18.43 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.47 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.508 ' HA ' HD11 ' A' ' 51' ' ' LEU . 21.0 m-70 -134.61 51.85 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' SER . 6.9 p -104.22 -49.34 3.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.4 OUTLIER 158.41 -65.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -44.12 -50.0 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.467 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 5.5 t -58.96 -47.44 85.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.508 HD11 ' HA ' ' A' ' 46' ' ' HIS . 1.3 mt -65.47 -24.97 67.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -62.48 -63.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.53 42.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.728 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -118.03 161.72 19.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 0.81 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 10.3 mttt -143.14 153.69 43.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -48.94 115.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 115.64 24.95 3.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.74 ' HB3' HG11 ' A' ' 92' ' ' VAL . 55.8 m-20 -84.75 115.55 22.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.554 ' CZ ' ' CD ' ' A' ' 39' ' ' GLN . 28.4 m-85 -93.81 101.04 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.855 HD13 HG11 ' A' ' 76' ' ' VAL . 26.1 mt -48.62 116.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 p -110.24 -39.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -145.66 170.13 17.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.934 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 62' ' ' SER . 14.7 mt -156.57 101.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 71.7 17.14 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.7 10.9 54.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.606 HG11 HD21 ' A' ' 79' ' ' LEU . 98.6 t -90.62 163.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.471 ' N ' HG12 ' A' ' 66' ' ' VAL . 6.2 t0 -88.91 113.82 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.415 ' SG ' HD12 ' A' ' 71' ' ' LEU . 87.9 m -134.87 49.45 2.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 108.309 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.14 -27.3 12.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -109.39 -35.48 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.415 HD12 ' SG ' ' A' ' 68' ' ' CYS . 10.8 mt -40.71 147.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.1 p -96.3 -155.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' A' ' 32' ' ' LEU . 41.6 t -74.52 -51.74 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.7 t -49.86 -60.84 2.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.31 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.855 HG11 HD13 ' A' ' 60' ' ' ILE . 75.9 t -41.97 -59.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 76' ' ' VAL . 4.0 mmt -37.22 -55.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -42.98 95.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.606 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -59.25 -24.24 63.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' VAL . 5.5 mt -90.47 -51.83 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -55.37 -48.27 74.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.5 t -45.14 -36.94 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 23.5 m-85 -97.03 40.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.08 124.2 35.33 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.588 ' HA2' HG23 ' A' ' 22' ' ' THR . . . 44.87 43.05 8.13 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -117.15 -3.66 11.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 60.65 111.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.489 HG11 ' CB ' ' A' ' 83' ' ' PHE . 5.6 m -134.68 172.26 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -116.84 105.42 12.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.466 ' HE2' ' HB3' ' A' ' 90' ' ' MET . 18.3 ttp -91.65 134.16 34.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -110.07 134.35 52.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.74 HG11 ' HB3' ' A' ' 58' ' ' ASP . 26.8 m -134.94 143.72 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.408 HG12 ' C ' ' A' ' 15' ' ' PRO . 1.4 m -118.27 163.08 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.31 146.09 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.497 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 24.4 tp -98.67 121.14 40.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -112.29 126.39 55.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -172.23 157.95 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -60.56 2.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 92.9 m 60.19 148.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.23 141.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.3 t -175.52 102.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.8 ttt -149.96 160.06 43.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -160.9 137.49 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.573 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -170.16 141.3 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -109.28 -65.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.32 169.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.053 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 150.66 85.51 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 166.73 28.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.443 1.76 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.7 p -92.93 169.62 10.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.9 t -146.33 133.91 20.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.43 158.53 9.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.47 115.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.74 -132.18 10.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -176.12 127.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.007 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -177.97 145.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.89 151.51 12.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -170.0 122.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 55.63 82.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.52 94.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -71.59 124.77 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' O ' HD22 ' A' ' 96' ' ' LEU . 1.1 tmt_? -82.11 125.39 30.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -109.72 156.57 20.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.022 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -92.52 179.33 1.36 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.002 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.2 Cg_endo -75.0 149.33 36.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -74.95 138.12 22.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' NH1' ' CG2' ' A' ' 92' ' ' VAL . 1.0 OUTLIER -87.08 174.26 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.38 86.92 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.775 HD13 ' HB2' ' A' ' 54' ' ' ALA . 7.4 mt -89.62 149.41 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.3 110.72 9.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.59 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.564 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 13.4 p90 -154.97 176.22 12.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.99 112.27 23.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.545 HG13 HD21 ' A' ' 28' ' ' LEU . 54.2 t -49.49 135.67 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 2.7 tt0 -108.43 113.44 26.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.26 13.69 6.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 27' ' ' ASP . . . -126.43 -4.51 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 1.8 t70 174.17 66.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.545 HD21 HG13 ' A' ' 23' ' ' VAL . 15.9 mt -37.35 -37.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.18 -35.41 4.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.42 1.075 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -126.07 -171.9 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.799 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -144.08 176.33 9.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.372 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.799 HD23 ' O ' ' A' ' 31' ' ' THR . 21.1 mt -129.32 122.22 29.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.12 161.53 39.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.34 -164.65 25.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -97.03 -175.56 3.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.542 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.9 t -89.88 140.94 27.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -74.99 132.33 27.22 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.994 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.461 ' N ' ' HA ' ' A' ' 36' ' ' THR . 15.7 m -52.72 147.71 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.538 ' OE1' ' CE2' ' A' ' 59' ' ' TYR . 2.2 mt-30 -107.09 166.03 10.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.4 t -102.67 126.75 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -113.05 76.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.618 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 2.2 m-85 -39.97 124.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.5 mt -104.87 -29.73 10.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.8 134.37 25.59 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -6.64 18.27 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -128.14 53.98 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.7 p -105.01 153.8 20.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 52' ' ' ALA . 16.7 m -45.25 -58.4 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.953 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.699 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -44.12 -60.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.465 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 38.9 t -53.62 -49.8 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.85 -18.76 46.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -76.65 -58.14 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.9 50.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.775 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -118.54 153.54 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -130.36 139.94 50.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -41.42 125.45 2.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.1 24.73 5.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.817 ' HB3' HG21 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -87.51 122.53 31.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.538 ' CE2' ' OE1' ' A' ' 39' ' ' GLN . 7.4 m-85 -100.13 96.96 7.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.493 HG21 HD11 ' A' ' 63' ' ' ILE . 57.2 mt -48.65 96.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.595 HG23 ' HG3' ' A' ' 69' ' ' LYS . 3.1 p -87.39 -28.31 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 36.3 m -168.77 155.24 6.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.493 HD11 HG21 ' A' ' 60' ' ' ILE . 48.7 mt -132.5 118.25 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 73.82 -57.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.38 37.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 62' ' ' SER . 64.6 t -124.64 146.34 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.86 115.73 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.7 m -122.3 45.49 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.595 ' HG3' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -101.97 -14.64 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -114.33 -43.68 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.426 ' CD1' HD13 ' A' ' 79' ' ' LEU . 19.3 mt -40.31 151.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.412 HG23 ' OE1' ' A' ' 75' ' ' GLU . 26.2 p -94.74 -158.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.438 ' HA ' HG11 ' A' ' 38' ' ' VAL . 33.5 t -73.59 -46.77 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.6 t -58.33 -61.68 2.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.412 ' OE1' HG23 ' A' ' 72' ' ' THR . 0.4 OUTLIER -40.75 -69.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' LEU . 72.0 t -44.33 -58.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -38.42 -43.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -73.57 -44.45 57.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.471 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -56.61 -25.86 54.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HG ' HD13 ' A' ' 63' ' ' ILE . 6.0 mt -86.54 -46.65 9.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -53.73 -50.1 66.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 t -45.01 -47.56 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.691 ' HB3' HG11 ' A' ' 88' ' ' VAL . 28.8 m-85 -88.69 40.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.46 124.04 9.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.16 35.89 84.2 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.866 ' O ' HG13 ' A' ' 88' ' ' VAL . 6.6 mt-10 -141.0 122.09 14.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.99 115.29 1.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 86' ' ' GLU . 11.3 m -124.76 164.88 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.11 104.07 12.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.444 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 30.6 ttp -91.54 137.18 32.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -123.23 133.36 54.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.817 HG21 ' HB3' ' A' ' 58' ' ' ASP . 29.4 m -136.24 146.09 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.44 HG12 ' C ' ' A' ' 15' ' ' PRO . 2.4 m -118.07 143.38 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.28 138.56 31.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.929 ' C ' HD13 ' A' ' 96' ' ' LEU . 28.9 tp -90.49 131.17 36.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.929 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -121.93 124.29 43.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -114.86 155.39 26.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 p -89.15 176.11 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.8 m 55.58 91.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.1 p -60.18 168.17 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.93 121.24 44.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.23 122.02 4.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.25 134.11 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.582 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 175.18 165.95 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -126.91 170.45 12.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 71.8 p -160.54 126.98 4.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -153.85 93.1 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -179.17 4.74 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 110.948 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.0 145.92 44.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.7 m -158.71 156.37 29.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 p 55.68 167.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.52 143.1 5.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.75 97.45 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.69 99.15 11.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 0.792 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 t -115.09 104.09 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.18 -138.74 8.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.27 121.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.65 102.01 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -134.36 150.63 50.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 10' ' ' SER . 0.7 OUTLIER 38.62 -158.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.6 132.56 21.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -125.81 148.03 49.25 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -79.54 179.45 1.82 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.043 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 147.4 33.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.814 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -75.0 146.31 32.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.565 ' HG3' HG22 ' A' ' 92' ' ' VAL . 1.8 ptp180 -109.07 130.13 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.82 99.45 2.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.544 HD13 ' HB2' ' A' ' 54' ' ' ALA . 3.6 mt -89.15 150.77 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -134.12 110.31 9.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.577 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.688 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 24.0 p90 -157.07 172.82 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.75 108.06 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.4 HG13 HD21 ' A' ' 28' ' ' LEU . 55.6 t -42.92 154.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -114.78 101.27 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -79.57 51.94 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.03 -39.88 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -151.42 77.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 28' ' ' LEU . 17.9 mt -46.27 -35.59 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.1 -36.13 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -121.42 179.2 4.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -136.52 176.72 8.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.521 ' N ' ' OG1' ' A' ' 31' ' ' THR . 89.1 mt -119.46 128.19 53.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.31 159.87 33.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.19 -167.63 33.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.84 -73.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.551 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 2.6 t -174.4 140.78 0.74 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -74.98 132.25 26.94 Favored 'Cis proline' 0 C--N 1.359 1.103 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.007 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.461 ' N ' ' HA ' ' A' ' 36' ' ' THR . 16.2 m -55.22 144.98 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.464 ' HG3' ' CD2' ' A' ' 59' ' ' TYR . 2.4 mt-30 -99.92 -174.11 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 58' ' ' ASP . 20.5 t -120.77 117.58 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -105.89 94.88 5.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.553 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 4.4 m-85 -63.37 118.83 8.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.3 mt -108.37 -24.1 11.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -130.08 133.67 25.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -28.07 9.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 47' ' ' CYS . 1.3 m80 -99.56 27.08 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 109.597 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.416 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.6 p -61.32 -119.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -149.99 -46.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.039 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.623 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -60.97 -48.51 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.55 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.8 t -59.71 -47.05 87.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 47' ' ' CYS . 42.2 mt -57.88 -25.67 61.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.688 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -67.55 -59.65 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 148.3 44.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.591 ' HB1' ' OD2' ' A' ' 58' ' ' ASP . . . -105.35 -168.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.751 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 5.2 mtmm -144.46 -171.34 3.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -92.83 113.52 25.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.589 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 116.0 4.1 19.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.591 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 3.4 m-20 -50.85 113.01 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.271 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 88.0 m-85 -88.82 97.31 11.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 111.058 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.569 HG21 HD11 ' A' ' 63' ' ' ILE . 2.9 mt -50.7 95.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.478 HG23 ' HG3' ' A' ' 69' ' ' LYS . 2.9 p -87.61 -27.93 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 68.2 m -161.35 167.95 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.803 ' H ' HG12 ' A' ' 66' ' ' VAL . 47.1 mt -150.23 108.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.18 2.76 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.04 14.3 12.27 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.803 HG12 ' H ' ' A' ' 63' ' ' ILE . 4.3 p -86.59 -178.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.745 ' H ' HG22 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -114.32 94.99 5.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.463 ' SG ' HD12 ' A' ' 71' ' ' LEU . 48.4 m -108.47 38.44 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.262 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.478 ' HG3' HG23 ' A' ' 61' ' ' VAL . 1.4 ttmt -96.56 -17.72 20.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -113.59 -40.41 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.463 HD12 ' SG ' ' A' ' 68' ' ' CYS . 14.6 mt -40.71 152.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.4 p -94.05 -144.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.9 t -88.86 -46.53 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -61.24 -52.65 63.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.46 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 79' ' ' LEU . 78.8 t -42.45 -57.35 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 76' ' ' VAL . 1.7 mmt -37.3 -48.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -45.45 72.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.779 ' CD2' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -53.54 -30.69 43.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mt -83.23 -45.18 14.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -56.82 -49.93 73.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -47.69 -35.81 10.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.712 ' HB3' HG11 ' A' ' 88' ' ' VAL . 21.9 m-85 -100.12 39.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.02 128.5 11.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.32 28.76 73.93 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.706 ' O ' HG13 ' A' ' 88' ' ' VAL . 7.1 mt-10 -134.01 122.95 23.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.17 116.31 3.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.712 HG11 ' HB3' ' A' ' 83' ' ' PHE . 16.4 m -125.56 165.76 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -110.63 100.76 9.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.445 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 32.1 ttp -91.65 131.44 37.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.72 136.57 50.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.565 HG22 ' HG3' ' A' ' 17' ' ' ARG . 27.3 m -138.48 140.89 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.403 HG22 ' HB ' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -118.17 143.34 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.61 137.13 33.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.491 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -73.34 104.66 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 14' ' ' SER . 2.9 mp -75.73 -166.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -176.91 153.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -46.3 166.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.5 m -106.84 116.75 32.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.31 135.52 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.86 119.58 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.16 164.46 37.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -175.75 134.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.152 . . . . 0.0 109.599 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -124.12 149.73 45.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.93 144.87 22.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.95 150.14 22.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -153.96 97.01 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.68 5.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.5 p -167.03 168.74 13.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.8 m 59.64 155.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.8 p -108.6 122.28 46.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.989 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.91 152.76 41.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.87 -157.2 14.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.88 112.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.85 141.74 32.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.6 -159.85 10.68 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.1 p -79.44 157.35 27.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.59 90.36 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 p -171.5 149.39 2.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.959 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -69.61 155.1 41.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -138.67 124.79 20.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.441 ' CZ2' ' HG ' ' A' ' 95' ' ' LEU . 39.9 m95 -113.22 128.25 56.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 107.993 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.552 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.8 OUTLIER -64.1 -178.75 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -75.02 147.27 33.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.427 ' HA ' HG13 ' A' ' 93' ' ' VAL . 18.4 Cg_endo -74.92 141.72 27.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.523 1.801 . . . . 0.0 111.038 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.55 ' HD2' HD11 ' A' ' 19' ' ' ILE . 11.8 ptp180 -91.7 155.85 18.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.15 105.95 2.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.55 HD11 ' HD2' ' A' ' 17' ' ' ARG . 9.1 mt -100.26 152.34 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.52 111.27 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.789 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 28.1 p90 -154.65 175.91 13.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.499 HG23 ' HA2' ' A' ' 85' ' ' GLY . 1.4 m -113.13 123.3 49.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.759 HG12 ' H ' ' A' ' 25' ' ' GLU . 91.8 t -63.24 128.9 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mp0 -81.33 -3.74 53.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.759 ' H ' HG12 ' A' ' 23' ' ' VAL . 2.0 pt-20 30.46 56.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.8 45.57 0.3 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 0.6 OUTLIER 173.31 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.2 mt -79.76 137.23 36.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.423 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -90.6 35.07 3.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -170.35 172.77 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.564 HG22 HD11 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -136.55 177.36 7.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.959 ' HB2' HG13 ' A' ' 73' ' ' VAL . 79.1 mt -116.87 131.85 56.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -137.94 152.29 48.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.52 -177.04 38.83 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -85.9 -86.04 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.757 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.538 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.6 t -166.67 139.19 3.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.98 133.06 29.71 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.013 -0.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.503 HG23 HD12 ' A' ' 60' ' ' ILE . 28.8 m -56.67 153.65 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -100.68 175.3 5.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.9 t -116.21 105.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' PHE . 38.5 t60 -97.11 68.99 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.571 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.712 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 1.2 m-85 -37.09 140.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.564 HD11 HG22 ' A' ' 31' ' ' THR . 40.3 mt -115.22 -41.18 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.91 123.8 28.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.09 9.33 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -126.6 55.16 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.423 ' CB ' ' HA3' ' A' ' 29' ' ' GLY . 25.4 p -122.05 159.7 26.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 108.353 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -45.74 -63.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.96 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.777 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -39.6 -66.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 t -51.63 -50.37 60.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.958 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.4 mt -57.16 -21.71 34.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.789 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -67.91 -52.46 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.28 42.99 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.716 ' HB1' ' OD2' ' A' ' 58' ' ' ASP . . . -96.75 -165.46 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.29 156.35 16.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.24 120.48 14.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.613 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 115.11 1.69 22.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.716 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 90.8 m-20 -61.9 130.87 47.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.613 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 54.1 m-85 -104.82 97.17 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.514 HG22 ' HB3' ' A' ' 68' ' ' CYS . 26.6 mt -48.3 99.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.477 HG23 ' HG3' ' A' ' 69' ' ' LYS . 2.0 p -88.83 -43.32 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 3.0 m -152.75 165.0 36.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.479 HD13 ' HG ' ' A' ' 80' ' ' LEU . 55.3 mt -143.89 114.1 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 71.66 5.61 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.22 12.68 24.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 62' ' ' SER . 23.7 t -103.41 134.0 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.34 122.89 15.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.514 ' HB3' HG22 ' A' ' 60' ' ' ILE . 14.4 m -127.38 5.13 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 108.338 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.477 ' HG3' HG23 ' A' ' 61' ' ' VAL . 1.2 ttmt -82.05 -9.76 59.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -108.71 -34.49 6.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 108.019 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.62 165.04 3.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.5 p -97.17 -146.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.959 HG13 ' HB2' ' A' ' 32' ' ' LEU . 39.5 t -90.31 -35.26 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.68 -57.89 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -43.28 -52.87 5.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' LEU . 79.2 t -58.71 -57.23 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.497 ' HG2' HD12 ' A' ' 32' ' ' LEU . 2.5 mmt -41.53 -37.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.44 -43.33 56.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -61.31 -26.36 67.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.479 ' HG ' HD13 ' A' ' 63' ' ' ILE . 4.8 mt -84.5 -45.37 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -62.05 -47.03 86.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -47.04 -31.72 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 19.5 m-85 -100.02 40.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.441 ' CA ' ' HB3' ' A' ' 25' ' ' GLU . . . -62.82 117.74 12.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.499 ' HA2' HG23 ' A' ' 22' ' ' THR . . . 52.38 44.8 58.74 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' GLU . 32.8 mt-10 -122.54 -4.26 8.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 86' ' ' GLU . 3.7 tt0 58.51 116.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 2.6 m -135.69 178.75 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 19' ' ' ILE . 3.3 mt-10 -121.67 107.25 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.237 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.533 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 8.0 ttp -91.38 131.05 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.35 135.62 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.666 HG11 ' HB3' ' A' ' 58' ' ' ASP . 30.1 m -138.24 144.05 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.427 HG13 ' HA ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -121.27 140.77 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.11 135.06 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.598 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -73.21 112.65 9.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.5 mp -91.97 10.12 30.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.481 ' H ' HD23 ' A' ' 95' ' ' LEU . 5.1 t70 -104.89 161.13 14.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.65 -60.12 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 m 47.09 96.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.42 -53.86 5.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.1 62.33 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.959 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -96.29 140.96 30.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 147.57 50.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.561 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -146.1 122.03 10.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.248 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.25 165.12 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.5 p -110.45 157.13 19.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.67 -170.55 0.27 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 112.23 3.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.536 1.808 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.2 92.14 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.24 -74.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.54 79.11 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.059 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.78 161.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.64 169.66 37.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 p -128.35 168.71 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.033 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 p -55.45 157.28 3.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.94 -94.45 2.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.12 81.36 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.957 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 41.94 80.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -98.26 133.91 42.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.83 136.43 56.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.72 145.6 49.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CH2' ' HG ' ' A' ' 95' ' ' LEU . 39.8 m95 -123.92 142.54 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.503 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -74.52 177.98 1.94 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.503 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.94 148.46 35.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.0 148.7 35.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.718 ' HG3' HG22 ' A' ' 92' ' ' VAL . 1.6 ptp85 -112.59 130.84 55.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.21 103.48 2.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.773 HD13 ' HB2' ' A' ' 54' ' ' ALA . 9.7 mt -92.29 151.09 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -135.02 110.37 9.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 34.0 p90 -157.07 176.5 12.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -116.78 107.99 15.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.577 HG13 HD21 ' A' ' 28' ' ' LEU . 66.5 t -42.19 145.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -105.5 96.16 6.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.76 53.87 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.3 -37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -149.52 79.06 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.577 HD21 HG13 ' A' ' 23' ' ' VAL . 11.8 mt -54.04 -38.81 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 86.1 3.21 85.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -162.4 160.72 26.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -124.39 176.77 6.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.591 ' HB2' HG13 ' A' ' 73' ' ' VAL . 83.0 mt -118.77 136.85 53.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.485 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 27.0 mtp85 -86.85 152.68 22.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.272 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -73.29 112.86 4.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 1.3 m120 153.3 -176.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.528 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.9 p -153.55 132.79 7.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -74.97 130.65 21.82 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.006 -0.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 29.0 m -47.13 160.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 57' ' ' GLY . 29.2 mt-30 -117.1 164.09 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.5 t -101.1 117.86 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -103.7 63.85 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.464 ' HE1' ' HB3' ' A' ' 49' ' ' ALA . 2.7 m-85 -39.55 133.13 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.6 mt -111.28 -35.34 5.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.21 123.08 24.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.06 8.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -132.34 40.16 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 48' ' ' SER . 11.9 p -90.09 -48.56 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.571 ' HA ' HD12 ' A' ' 51' ' ' LEU . 1.0 OUTLIER 158.32 -67.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' HB3' ' HE1' ' A' ' 42' ' ' PHE . . . -40.41 -45.53 2.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -45.63 91.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 48' ' ' SER . 1.3 mt -66.26 -28.97 69.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -63.07 -60.71 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.83 43.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.773 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -119.65 171.75 8.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -139.31 -178.04 5.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -83.43 148.02 27.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.584 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 79.46 -1.16 78.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -51.96 134.12 32.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 20.0 m-85 -105.36 99.63 9.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' CYS . 2.7 mt -60.73 131.56 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 68' ' ' CYS . 4.1 m -112.08 -37.55 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.6 m -149.97 155.46 40.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.719 HD13 ' HG ' ' A' ' 80' ' ' LEU . 50.1 mt -133.08 99.54 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER 77.25 -1.85 2.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.71 -29.48 3.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.836 HG21 HD11 ' A' ' 79' ' ' LEU . 4.4 p -50.37 177.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.648 ' H ' HG22 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -113.55 101.01 8.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' VAL . 62.9 m -113.29 54.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.03 -27.76 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.473 ' O ' HG21 ' A' ' 36' ' ' THR . 39.8 m95 -112.6 -36.41 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.426 HD22 ' CD ' ' A' ' 75' ' ' GLU . 25.2 mt -39.78 152.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.64 ' O ' HG23 ' A' ' 76' ' ' VAL . 27.5 p -91.83 -159.93 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.591 HG13 ' HB2' ' A' ' 32' ' ' LEU . 6.7 t -74.34 -48.17 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 t -55.57 -64.06 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.426 ' CD ' HD22 ' A' ' 71' ' ' LEU . 2.2 mt-10 -42.11 -58.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 72' ' ' THR . 66.1 t -56.65 -51.25 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.5 mmt -49.35 -46.52 47.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -39.01 70.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.836 HD11 HG21 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -61.5 -34.41 75.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.719 ' HG ' HD13 ' A' ' 63' ' ' ILE . 3.2 mt -83.45 -46.7 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -52.12 -52.43 51.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.2 t -45.86 -39.7 8.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.98 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.445 ' HB3' HG11 ' A' ' 88' ' ' VAL . 20.5 m-85 -88.75 34.57 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -67.84 125.28 22.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.76 25.34 75.21 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.682 ' O ' HG13 ' A' ' 88' ' ' VAL . 8.1 mt-10 -130.55 123.66 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.01 124.68 21.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 86' ' ' GLU . 3.0 m -130.88 179.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -123.36 101.19 7.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.445 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 30.4 ttp -91.96 138.62 31.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -117.29 128.31 54.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.718 HG22 ' HG3' ' A' ' 17' ' ' ARG . 16.9 m -128.5 148.91 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.92 160.4 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.06 148.61 24.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.559 ' HG ' ' CH2' ' A' ' 13' ' ' TRP . 0.7 OUTLIER -97.74 112.8 24.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.567 HD22 ' N ' ' A' ' 96' ' ' LEU . 2.0 mm? -90.09 -167.27 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 t0 171.66 161.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -49.18 162.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.2 t -121.71 26.52 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -85.79 157.04 20.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.6 t -166.5 151.2 7.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.979 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.9 mtt 58.05 161.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.93 114.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.45 -57.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.07 154.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.4 p -130.59 170.53 14.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.23 157.52 40.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 157.15 43.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.44 133.71 55.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.955 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.64 -58.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.453 ' CZ2' HD13 ' A' ' 95' ' ' LEU . 36.4 m95 -106.05 149.65 26.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.015 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.488 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -76.81 177.31 2.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.016 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.96 150.25 38.07 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.4 Cg_endo -75.0 132.94 15.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -88.62 167.67 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.46 102.9 0.99 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.867 HD13 ' HB2' ' A' ' 54' ' ' ALA . 7.4 mt -96.89 154.16 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.39 110.45 6.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.572 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 33.3 p90 -157.13 177.41 11.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -118.25 108.06 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.457 HG22 HD22 ' A' ' 80' ' ' LEU . 38.5 t -40.65 159.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 6.6 mm-40 -127.9 105.22 8.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.86 53.94 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.46 -40.96 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -153.09 89.19 1.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 0.736 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD21 HG13 ' A' ' 23' ' ' VAL . 66.2 mt -64.67 -28.65 69.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 82.54 -2.54 85.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -149.17 171.73 15.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 0.786 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -135.49 176.69 8.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.593 ' HB2' HG13 ' A' ' 73' ' ' VAL . 57.4 mt -125.08 119.56 28.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -117.27 165.45 13.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.64 -161.87 31.26 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.4 OUTLIER -109.98 -69.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.56 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.1 t -174.96 140.4 0.65 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -74.98 131.94 25.89 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.995 -0.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.469 ' N ' ' HA ' ' A' ' 36' ' ' THR . 20.7 m -50.55 150.69 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.595 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 20.4 mt-30 -115.43 167.71 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.9 t -100.75 113.6 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -103.56 65.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.605 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 3.8 m-85 -40.35 123.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 43' ' ' LEU . 18.6 mt -107.14 -28.53 9.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.07 134.13 25.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -31.29 6.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -93.56 26.36 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.589 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.731 ' O ' HD12 ' A' ' 51' ' ' LEU . 7.9 p -63.2 -123.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.61 -58.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.649 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -49.94 -49.36 50.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.533 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.8 t -58.78 -52.01 67.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 47' ' ' CYS . 29.4 mt -53.44 -29.46 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -63.42 -58.86 5.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.26 44.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.041 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.867 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -111.29 -172.8 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.781 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -144.31 -171.59 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.62 163.21 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.456 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 57.64 15.93 20.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -68.49 120.45 14.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 0.737 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.595 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 71.4 m-85 -93.34 107.3 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.7 mt -63.77 135.97 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 91' ' ' LYS . 5.3 m -113.5 -36.18 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 34.8 m -154.58 157.83 38.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.45 HD13 ' HG ' ' A' ' 80' ' ' LEU . 92.5 mt -136.31 102.4 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 74.61 8.12 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.25 -21.87 9.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.949 HG11 HD21 ' A' ' 79' ' ' LEU . 75.3 t -63.82 154.9 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.75 120.34 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.7 m -133.38 53.09 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 108.32 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.45 -32.38 6.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -102.24 -35.85 8.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 107.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.429 ' CD1' HD13 ' A' ' 79' ' ' LEU . 14.2 mt -42.32 154.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.5 p -98.05 -147.28 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.593 HG13 ' HB2' ' A' ' 32' ' ' LEU . 50.5 t -85.4 -48.93 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 t -55.77 -53.91 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.78 -68.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 79' ' ' LEU . 56.0 t -44.45 -59.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.4 mmt -39.03 -45.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -72.61 -41.91 65.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.949 HD21 HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -60.75 -26.17 67.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.457 HD22 HG22 ' A' ' 23' ' ' VAL . 5.0 mt -87.18 -46.9 9.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -54.34 -50.49 67.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.5 t -45.12 -45.02 10.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.624 ' HB3' HG11 ' A' ' 88' ' ' VAL . 26.9 m-85 -88.95 44.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.48 129.36 9.9 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.34 30.02 75.9 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.698 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.2 mt-10 -135.31 123.84 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.78 110.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 86' ' ' GLU . 13.3 m -115.15 171.7 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -119.11 103.67 9.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.443 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 27.1 ttp -92.1 138.04 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.497 ' O ' HG22 ' A' ' 61' ' ' VAL . 2.7 mptt -119.71 128.73 54.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 18.6 m -128.39 154.61 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.446 HG22 HG13 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -130.69 143.26 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -85.33 144.12 28.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.453 HD13 ' CZ2' ' A' ' 13' ' ' TRP . 35.2 tp -99.07 128.24 45.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -132.42 136.18 46.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 107.964 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -66.03 176.97 0.83 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.02 147.0 33.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.06 137.15 21.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 92' ' ' VAL . 9.7 ptp180 -102.25 151.28 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.53 109.21 3.8 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.555 HD13 ' HB2' ' A' ' 54' ' ' ALA . 6.1 mt -100.51 152.73 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.76 111.16 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.637 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.725 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 33.8 p90 -156.66 174.9 14.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -115.91 112.66 22.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 34.6 t -43.52 164.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.487 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.5 mt-10 -132.65 97.64 4.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.11 54.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.84 -38.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.086 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -156.09 89.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.759 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.3 mt -66.58 -38.23 86.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.99 0.53 68.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -153.47 173.41 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 0.755 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.522 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -134.91 176.5 8.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB2' HG13 ' A' ' 73' ' ' VAL . 84.4 mt -119.73 114.04 21.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 mtt-85 -107.86 166.67 10.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.28 -174.08 54.43 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -95.96 -67.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.552 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.2 t -177.78 139.21 0.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.04 131.9 25.77 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.958 -2.517 . . . . 0.0 110.976 0.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.477 ' N ' ' HA ' ' A' ' 36' ' ' THR . 31.7 m -50.1 170.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.53 ' NE2' ' CE2' ' A' ' 59' ' ' TYR . 5.0 mt-30 -125.97 175.21 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.5 t -111.18 101.77 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -94.69 72.6 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.621 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.431 ' HE1' ' HB3' ' A' ' 49' ' ' ALA . 3.6 m-85 -49.33 131.11 20.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.2 mt -110.03 -32.26 7.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.05 127.11 26.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -8.94 20.5 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.534 1.807 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -131.87 65.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.697 ' O ' HD12 ' A' ' 51' ' ' LEU . 1.2 p -108.59 -105.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -143.75 -67.45 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.55 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -43.59 -51.77 6.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.55 -58.01 9.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 47' ' ' CYS . 21.5 mt -46.75 -48.5 20.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.725 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -40.49 -67.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.47 42.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.555 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -114.13 172.78 6.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -149.96 160.36 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -59.13 138.15 57.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.465 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 94.19 18.75 35.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.492 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 77.2 m-20 -85.52 127.1 34.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.84 ' CE2' HD12 ' A' ' 95' ' ' LEU . 15.0 m-85 -103.14 102.82 12.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.594 HG21 HD11 ' A' ' 63' ' ' ILE . 2.7 mp -54.59 127.3 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 91' ' ' LYS . 7.0 m -113.99 -36.54 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 1.3 p -142.04 169.2 18.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.594 HD11 HG21 ' A' ' 60' ' ' ILE . 18.2 mt -156.1 95.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.432 ' HG3' HG12 ' A' ' 88' ' ' VAL . 1.4 mm-40 71.22 33.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.46 16.29 71.59 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.698 HG11 HD21 ' A' ' 79' ' ' LEU . 97.6 t -100.75 160.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.421 ' N ' HG12 ' A' ' 66' ' ' VAL . 2.2 t0 -87.06 118.93 26.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.669 ' SG ' HD22 ' A' ' 79' ' ' LEU . 90.0 m -138.89 50.43 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 108.319 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.66 -34.32 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -99.44 -32.85 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.586 ' CD1' HD13 ' A' ' 79' ' ' LEU . 23.9 mt -44.18 154.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 48.0 p -94.59 -155.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.375 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.56 HG13 ' HB2' ' A' ' 32' ' ' LEU . 76.0 t -78.62 -46.62 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 t -59.85 -53.05 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.17 -69.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' LEU . 48.3 t -43.39 -58.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -39.94 -58.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -62.61 -33.32 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.698 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -67.83 -30.46 69.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 76' ' ' VAL . 3.2 mt -84.54 -45.16 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -55.8 -50.63 69.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 t -44.53 -45.19 9.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.516 ' HB3' HG11 ' A' ' 88' ' ' VAL . 18.7 m-85 -89.22 37.83 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' A' ' 23' ' ' VAL . . . -70.92 125.97 13.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.17 31.39 69.15 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.699 ' O ' HG13 ' A' ' 88' ' ' VAL . 6.5 mt-10 -139.48 121.68 15.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -56.67 119.91 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 86' ' ' GLU . 18.0 m -126.15 164.41 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -110.37 98.63 7.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.514 ' HE2' ' HB3' ' A' ' 90' ' ' MET . 22.6 ttp -93.45 132.92 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.638 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -108.93 131.63 54.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 17' ' ' ARG . 23.9 m -126.26 155.46 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.18 161.79 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 m -103.76 142.23 34.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.84 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.5 OUTLIER -93.68 117.68 30.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 96' ' ' LEU . 1.6 mm? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.567 ' CZ3' ' HG ' ' A' ' 95' ' ' LEU . 68.2 m95 -105.9 152.09 23.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.64 172.4 9.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -75.01 148.99 36.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.4 Cg_endo -74.96 132.27 15.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HD2' HD11 ' A' ' 19' ' ' ILE . 8.9 ptp180 -95.48 169.35 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.32 105.25 1.52 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.676 HD13 ' HB2' ' A' ' 54' ' ' ALA . 11.0 mt -100.24 151.47 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -137.48 110.74 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.567 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.45 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 32.9 p90 -156.87 172.36 18.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -111.4 127.03 55.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.601 ' CG2' HD22 ' A' ' 80' ' ' LEU . 25.1 t -68.37 164.26 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.478 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 3.7 mt-10 -128.95 87.83 2.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.24 60.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -172.8 -38.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -162.45 94.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.481 HD21 HG13 ' A' ' 23' ' ' VAL . 80.1 mt -71.37 146.0 49.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -87.45 12.71 62.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -160.98 153.91 21.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.515 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -113.8 176.76 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.562 HD12 ' HG2' ' A' ' 77' ' ' MET . 11.0 mt -129.35 150.02 50.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -146.51 165.58 29.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.48 -169.86 38.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -101.35 -67.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.554 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.7 t -178.5 139.81 0.38 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 132.0 26.1 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.028 -2.488 . . . . 0.0 111.011 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' N ' ' HA ' ' A' ' 36' ' ' THR . 17.3 m -49.52 146.75 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.608 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 63.4 mt-30 -112.48 133.51 54.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -69.84 117.03 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -106.62 77.78 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.604 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 1.5 m-85 -39.11 120.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.929 ' O ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -114.94 -34.5 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.72 132.46 23.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -90.55 36.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.578 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.625 ' O ' HD12 ' A' ' 51' ' ' LEU . 10.3 p -70.97 -125.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 108.335 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.5 p -138.88 -57.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.0 -40.5 44.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.554 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 7.0 t -67.62 -41.21 84.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.056 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 47' ' ' CYS . 29.1 mt -69.12 -17.79 63.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -80.75 -55.08 5.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.416 ' O ' ' NH1' ' A' ' 17' ' ' ARG . . . 145.47 45.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.676 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -105.94 165.39 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -122.54 -175.15 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.83 147.59 23.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.573 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 73.07 15.42 78.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -64.33 127.4 31.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.608 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 44.1 m-85 -99.12 107.48 19.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.58 HG21 HD11 ' A' ' 63' ' ' ILE . 23.6 mt -60.43 129.29 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 91' ' ' LYS . 8.3 m -113.33 -33.34 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.479 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 1.7 p -145.45 168.55 20.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.58 HD11 HG21 ' A' ' 60' ' ' ILE . 14.0 mt -155.68 94.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 70.4 33.88 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.31 27.39 48.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.589 HG11 HD21 ' A' ' 79' ' ' LEU . 98.7 t -112.03 162.83 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.463 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.7 OUTLIER -89.99 118.88 29.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.432 ' SG ' HD12 ' A' ' 71' ' ' LEU . 59.9 m -138.87 50.81 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.88 -34.37 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -101.56 -23.16 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 107.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.432 HD12 ' SG ' ' A' ' 68' ' ' CYS . 13.4 mt -54.25 158.11 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.9 p -103.0 -159.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.457 ' HA ' HG11 ' A' ' 38' ' ' VAL . 85.4 t -72.27 -52.09 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -59.39 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.87 -71.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' LEU . 48.6 t -40.84 -62.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.562 ' HG2' HD12 ' A' ' 32' ' ' LEU . 1.9 mmt -37.67 -56.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -63.05 -39.69 95.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.589 HD21 HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -60.45 -31.84 70.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.601 HD22 ' CG2' ' A' ' 23' ' ' VAL . 5.6 mt -83.72 -46.32 12.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' GLY . 6.5 mttm -51.65 -51.79 53.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.1 t -43.23 -43.21 4.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.534 ' HB3' HG11 ' A' ' 88' ' ' VAL . 21.4 m-85 -90.94 39.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -72.73 128.24 12.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.16 18.84 78.22 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.613 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.7 mt-10 -130.2 124.21 32.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 3.3 tt0 -60.2 122.25 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 86' ' ' GLU . 12.7 m -124.21 164.97 21.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.03 99.17 8.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.475 ' HE2' ' HB3' ' A' ' 90' ' ' MET . 27.0 ttp -93.64 126.71 38.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.543 ' O ' HG22 ' A' ' 61' ' ' VAL . 5.5 mttt -105.17 133.9 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.523 HG22 ' CG ' ' A' ' 17' ' ' ARG . 27.2 m -129.79 153.8 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.433 HG12 ' C ' ' A' ' 15' ' ' PRO . 3.7 m -129.68 141.72 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -86.97 143.81 27.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.578 HD12 ' OH ' ' A' ' 59' ' ' TYR . 1.6 mt -88.93 131.6 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.702 ' CH2' HD11 ' A' ' 95' ' ' LEU . 55.1 m95 -130.29 138.54 50.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -76.24 179.13 1.6 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 148.07 34.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.04 131.33 14.12 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 110.963 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.677 ' HD2' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -91.33 161.1 15.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.75 105.68 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.799 HD13 ' HB2' ' A' ' 54' ' ' ALA . 3.5 mt -99.75 151.68 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.49 111.13 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.588 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.475 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 35.9 p90 -156.82 176.98 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.13 113.41 24.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.529 HG22 HD22 ' A' ' 80' ' ' LEU . 24.7 t -47.37 165.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.564 ' HB2' HD23 ' A' ' 28' ' ' LEU . 2.5 mt-10 -129.27 81.81 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.21 61.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -175.95 -38.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -159.09 105.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.242 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' A' ' 24' ' ' GLU . 98.2 mt -94.05 145.02 24.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.57 26.71 14.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -171.22 165.95 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -132.96 176.92 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.729 ' HB2' HG13 ' A' ' 73' ' ' VAL . 33.6 mt -118.97 116.92 27.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -114.58 154.37 28.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.96 -162.85 25.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.434 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -107.32 -69.71 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.557 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -175.61 139.94 0.58 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.02 132.31 27.16 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.967 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.515 HG23 HD12 ' A' ' 60' ' ' ILE . 33.8 m -52.58 164.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 12.3 mt-30 -119.7 -174.03 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.62 108.88 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' PHE . 27.2 t60 -103.85 78.13 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 5.1 m-85 -37.14 137.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.8 mt -111.45 -31.05 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -132.73 140.67 38.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -38.82 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.77 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -92.35 30.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.58 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.44 ' SG ' ' CB ' ' A' ' 50' ' ' SER . 32.1 p -69.28 -139.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -117.96 -71.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -39.5 -58.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.561 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 8.5 t -47.29 -42.03 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.19 -36.87 84.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -56.89 -61.95 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.77 43.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.799 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -113.55 152.75 29.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -115.86 -173.85 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.6 142.03 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.602 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 83.33 20.49 60.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 46.4 m-20 -76.03 129.32 36.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 0.785 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 27.6 m-85 -104.5 104.88 14.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.515 HD12 HG23 ' A' ' 38' ' ' VAL . 3.3 mt -57.84 130.31 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.444 HG13 HG22 ' A' ' 93' ' ' VAL . 15.3 m -111.64 -32.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 57.2 m -156.44 162.81 39.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.486 HD11 HG21 ' A' ' 60' ' ' ILE . 23.9 mt -146.04 104.09 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 70.51 29.29 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.36 -0.36 77.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.821 HG11 HD21 ' A' ' 79' ' ' LEU . 63.8 t -83.21 152.12 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.9 118.13 23.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 96.7 m -135.07 50.05 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.9 -32.53 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -104.3 -33.14 8.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 107.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 mt -42.95 148.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.431 HG23 ' OE1' ' A' ' 75' ' ' GLU . 68.7 p -88.92 -157.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.729 HG13 ' HB2' ' A' ' 32' ' ' LEU . 51.0 t -80.27 -41.1 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.5 t -64.66 -48.62 74.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.431 ' OE1' HG23 ' A' ' 72' ' ' THR . 1.9 mt-10 -53.68 -65.24 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' LEU . 55.2 t -48.29 -52.84 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.59 ' HG2' HD12 ' A' ' 32' ' ' LEU . 4.0 mmt -47.05 -42.56 18.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -75.26 -24.79 57.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.821 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -78.47 -27.4 46.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.529 HD22 HG22 ' A' ' 23' ' ' VAL . 6.5 mt -87.05 -47.51 8.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -53.42 -50.88 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -46.13 -44.27 15.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.605 ' HB3' HG11 ' A' ' 88' ' ' VAL . 13.5 m-30 -88.97 38.15 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.33 128.24 15.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.42 27.03 73.49 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.712 ' O ' HG13 ' A' ' 88' ' ' VAL . 4.9 mt-10 -133.27 123.29 25.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -59.03 116.38 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 86' ' ' GLU . 10.6 m -122.3 174.2 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.74 98.88 6.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.518 ' SD ' HG13 ' A' ' 92' ' ' VAL . 0.6 OUTLIER -92.24 142.16 27.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 4.9 mptt -116.18 134.96 54.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.518 HG13 ' SD ' ' A' ' 90' ' ' MET . 23.5 m -133.76 147.54 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.444 HG22 HG13 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -121.61 149.79 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -92.67 142.45 27.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.702 HD11 ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -96.54 128.45 43.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.689 ' CH2' ' CD1' ' A' ' 95' ' ' LEU . 37.5 m95 -129.1 128.78 44.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 108.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.523 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -60.93 179.07 0.24 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.01 147.61 34.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.542 1.812 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.539 ' HA ' HG13 ' A' ' 93' ' ' VAL . 18.3 Cg_endo -75.01 138.12 22.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.536 ' CG ' HG22 ' A' ' 92' ' ' VAL . 10.3 ptm180 -99.01 161.25 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.32 112.46 3.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.715 HD13 ' HB2' ' A' ' 54' ' ' ALA . 9.8 mt -103.19 153.72 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.21 110.47 6.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.503 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 28.2 p90 -156.94 172.01 19.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -111.68 114.0 26.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 33.8 t -51.31 164.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.48 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 2.3 mt-10 -130.3 85.69 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.47 59.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -170.81 -39.92 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -157.94 102.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -85.33 146.23 27.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.94 24.36 26.84 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -170.83 168.08 7.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.548 HG22 HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -133.44 176.71 8.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.705 ' HB2' HG13 ' A' ' 73' ' ' VAL . 73.5 mt -123.5 123.59 40.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.75 155.37 39.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.8 -164.81 20.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.15 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -103.3 -67.49 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.563 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER 178.8 141.16 0.28 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -75.0 132.54 27.92 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.033 -0.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.463 ' N ' ' HA ' ' A' ' 36' ' ' THR . 22.3 m -55.52 149.42 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.555 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 58.8 mt-30 -106.16 -174.15 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 58' ' ' ASP . 94.8 t -123.13 109.98 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -99.88 71.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.641 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 3.3 m-85 -37.54 134.85 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.548 HD11 HG22 ' A' ' 31' ' ' THR . 58.5 mt -111.37 -39.03 4.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -116.0 137.01 23.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.241 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.28 3.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.417 ' O ' ' O ' ' A' ' 47' ' ' CYS . 24.4 m80 -98.36 30.66 3.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.596 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.482 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.0 p -61.4 -118.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -147.73 -46.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.575 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -61.07 -46.82 89.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.498 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.7 t -61.68 -44.41 97.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.019 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 47' ' ' CYS . 44.6 mt -63.64 -19.7 65.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -74.55 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.484 ' O ' ' CZ ' ' A' ' 17' ' ' ARG . . . 154.99 44.08 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.715 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -119.59 150.9 39.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.797 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' OD2' ' A' ' 58' ' ' ASP . 13.0 mtmt -114.01 -171.54 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.04 148.37 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.539 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 70.92 22.36 78.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.548 ' O ' HG23 ' A' ' 40' ' ' VAL . 42.5 m-20 -72.29 123.09 22.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CE2' HD12 ' A' ' 95' ' ' LEU . 49.1 m-85 -96.55 109.14 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.543 HG21 HD11 ' A' ' 63' ' ' ILE . 4.1 mt -62.65 128.52 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.6 m -110.37 -33.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.476 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -149.25 171.02 17.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.543 HD11 HG21 ' A' ' 60' ' ' ILE . 19.2 mt -155.66 100.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 71.2 24.09 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.33 29.2 22.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.023 HG11 HD21 ' A' ' 79' ' ' LEU . 78.7 t -113.74 156.05 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -76.33 117.85 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.7 m -140.46 46.33 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 108.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.31 -31.12 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -104.99 -32.41 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.008 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.9 mt -44.3 152.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 p -93.91 -162.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 32' ' ' LEU . 39.3 t -72.49 -43.81 62.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.9 t -60.21 -57.76 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.36 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 79' ' ' LEU . 74.7 t -42.29 -56.78 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.9 mmt -43.46 -39.35 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -77.3 -38.67 50.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.023 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -64.78 -24.33 67.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.473 HD22 ' CG2' ' A' ' 23' ' ' VAL . 6.5 mt -87.67 -46.98 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -54.7 -50.2 68.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.1 t -47.11 -30.28 2.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 17.9 m-85 -104.94 38.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.78 129.22 15.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.12 17.84 74.23 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.525 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.8 mt-10 -126.67 128.93 47.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 3.7 tt0 -64.05 121.47 14.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 83' ' ' PHE . 11.5 m -126.11 169.46 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -114.54 99.98 7.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.468 ' HE2' ' HB3' ' A' ' 90' ' ' MET . 37.2 ttp -92.19 133.85 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 7.4 mptt -107.65 136.55 47.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.536 HG22 ' CG ' ' A' ' 17' ' ' ARG . 26.9 m -133.79 162.7 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.539 HG13 ' HA ' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -146.24 173.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -113.72 145.98 40.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.689 ' CD1' ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -89.78 119.76 30.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.5 m95 -134.4 136.64 43.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.019 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -74.77 179.12 1.43 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.95 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 149.16 36.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.01 129.65 12.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HG2' HG23 ' A' ' 92' ' ' VAL . 13.5 ptp180 -92.07 151.64 20.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.39 106.57 3.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.903 HD13 ' HB2' ' A' ' 54' ' ' ALA . 7.5 mt -95.86 151.63 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -138.1 110.46 7.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.47 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 34.0 p90 -157.0 177.04 11.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -118.14 109.04 15.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 40.5 t -42.91 164.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.468 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.2 mt-10 -133.87 103.86 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.5 52.48 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.33 -41.26 0.03 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -152.3 93.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.61 -34.78 70.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 84.74 -1.4 88.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -152.55 165.42 35.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 111.047 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -131.15 176.87 7.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.389 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.519 ' N ' ' OG1' ' A' ' 31' ' ' THR . 66.1 mt -120.09 119.56 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -115.36 167.28 11.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.03 178.77 51.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -88.42 -74.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.537 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -173.65 138.58 0.76 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.03 132.24 26.91 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.983 0.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' N ' ' HA ' ' A' ' 36' ' ' THR . 24.6 m -50.91 173.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 58' ' ' ASP . 6.7 mt-30 -128.09 172.08 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.5 t -104.67 103.17 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -95.7 67.74 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.594 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -49.55 138.67 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -111.7 -42.1 3.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.06 142.14 24.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -20.05 17.35 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -127.4 61.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.63 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 48' ' ' SER . 12.3 p -91.71 -48.49 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER 159.77 -73.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -43.02 -51.78 5.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.3 -38.98 66.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' SER . 5.8 mt -70.52 -26.97 63.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -67.46 -59.38 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.82 43.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.903 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -120.38 178.75 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -154.72 -175.6 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.95 165.68 22.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.545 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 66.43 10.51 53.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 68.1 m-20 -76.98 127.26 32.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 37.3 m-85 -100.07 114.66 28.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.0 mt -65.25 131.18 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.7 m -113.45 -38.41 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 48.1 m -160.1 161.23 33.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.4 mt -138.02 118.0 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.9 -57.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.91 37.82 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.122 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 62' ' ' SER . 75.3 t -126.38 157.58 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.582 0.813 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.78 123.62 28.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.9 m -136.68 48.87 2.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.32 -28.42 8.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -104.71 -34.01 8.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.029 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -43.87 151.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 p -91.13 -158.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.458 HG13 ' HB2' ' A' ' 32' ' ' LEU . 21.7 t -75.85 -45.26 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -61.65 -58.68 7.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.63 -65.21 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' LEU . 84.4 t -51.4 -60.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -38.3 -40.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -74.56 -46.26 40.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -59.29 -22.72 61.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.34 -46.57 9.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -56.82 -48.51 77.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.9 t -46.2 -45.85 17.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.691 ' HB3' HG11 ' A' ' 88' ' ' VAL . 25.7 m-85 -89.21 45.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.12 131.41 11.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.75 72.96 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 88' ' ' VAL . 3.6 mt-10 -133.26 125.64 29.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.41 111.65 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.691 HG11 ' HB3' ' A' ' 83' ' ' PHE . 8.4 m -117.99 175.02 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -119.79 101.81 8.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.415 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 31.2 ttp -92.19 138.04 31.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -114.79 136.4 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.499 HG23 ' HG2' ' A' ' 17' ' ' ARG . 17.9 m -135.6 151.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.34 142.11 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -89.19 140.97 28.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.9 tp -92.33 128.69 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.657 ' CH2' HD11 ' A' ' 95' ' ' LEU . 59.3 m95 -122.84 143.14 50.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.028 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -80.89 178.37 2.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.97 151.07 39.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -74.93 129.0 12.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.551 ' CG ' HG22 ' A' ' 92' ' ' VAL . 6.9 ptp180 -89.34 164.64 14.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -113.21 114.35 3.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.123 . . . . 0.0 111.049 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.868 HD13 ' HB2' ' A' ' 54' ' ' ALA . 7.4 mt -108.49 152.28 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.797 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.34 110.79 8.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.605 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.548 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 25.3 p90 -156.72 171.08 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.37 105.54 13.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.611 HG13 HD21 ' A' ' 28' ' ' LEU . 43.1 t -40.12 155.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.517 ' H ' HD23 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -117.71 103.45 10.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.38 51.39 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.356 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.1 -39.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 111.044 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -154.87 86.79 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.611 HD21 HG13 ' A' ' 23' ' ' VAL . 72.4 mt -61.47 -41.45 97.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.35 0.18 65.44 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -153.28 166.81 31.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -127.07 179.09 5.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.539 ' N ' ' OG1' ' A' ' 31' ' ' THR . 56.3 mt -119.63 118.61 31.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.03 163.43 15.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.87 171.78 47.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.62 -70.45 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 0.732 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.514 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -176.06 136.65 0.47 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.439 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.99 132.09 26.39 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.017 0.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.5 HG23 HD12 ' A' ' 60' ' ' ILE . 17.6 m -51.56 178.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -130.54 169.21 15.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -104.44 115.28 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -109.26 100.07 9.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.563 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.677 ' HE1' ' HB3' ' A' ' 49' ' ' ALA . 12.2 m-85 -78.18 108.54 11.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -78.91 -32.1 45.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -126.73 138.14 31.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -17.4 19.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.032 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 47' ' ' CYS . 18.0 m80 -106.39 25.09 11.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.615 ' O ' HD12 ' A' ' 51' ' ' LEU . 4.9 p -61.43 -118.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m -143.65 -63.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.677 ' HB3' ' HE1' ' A' ' 42' ' ' PHE . . . -47.37 -53.14 14.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 t -52.85 -46.95 68.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.049 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 47' ' ' CYS . 21.9 mt -59.79 -44.0 94.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.548 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -44.89 -62.87 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.03 44.45 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.868 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -113.04 -171.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.764 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.46 -171.65 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -92.77 149.31 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 77.69 5.15 86.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.606 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 27.4 m-20 -56.9 122.68 12.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 50.3 m-85 -95.87 107.81 20.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.629 HG21 HD11 ' A' ' 63' ' ' ILE . 4.0 mt -64.4 133.25 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.431 HG12 ' CG ' ' A' ' 69' ' ' LYS . 3.1 m -115.07 -36.7 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 20.6 m -150.46 162.84 39.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.629 HD11 HG21 ' A' ' 60' ' ' ILE . 38.4 mt -149.34 99.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 68.59 46.28 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.49 -0.82 68.23 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.875 HG11 HD21 ' A' ' 79' ' ' LEU . 48.8 t -85.58 164.76 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.769 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.483 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.7 OUTLIER -99.91 121.34 41.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 57.2 m -134.11 28.91 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 108.302 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.431 ' CG ' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -96.64 -24.5 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -107.94 -33.07 7.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 107.955 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.632 ' CD1' HD13 ' A' ' 79' ' ' LEU . 18.6 mt -47.68 152.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.423 HG23 ' OE1' ' A' ' 75' ' ' GLU . 37.1 p -91.0 -144.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.524 HG13 ' HB2' ' A' ' 32' ' ' LEU . 14.4 t -88.25 -45.64 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -50.68 67.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.423 ' OE1' HG23 ' A' ' 72' ' ' THR . 0.5 OUTLIER -50.02 -67.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 79' ' ' LEU . 92.5 t -45.45 -56.32 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 76' ' ' VAL . 2.9 mmt -38.04 -49.33 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -44.41 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.875 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -57.53 -29.01 64.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -88.16 -47.94 8.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -53.78 -50.46 66.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -47.29 -44.18 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.669 ' HB3' HG11 ' A' ' 88' ' ' VAL . 22.6 m-85 -89.77 40.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.2 128.0 9.62 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.07 28.04 72.19 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.626 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.7 mt-10 -135.88 125.92 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -61.12 112.69 2.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.669 HG11 ' HB3' ' A' ' 83' ' ' PHE . 16.4 m -118.94 168.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -112.78 104.12 12.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.446 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 24.9 ttp -92.0 138.75 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' O ' HG22 ' A' ' 61' ' ' VAL . 5.0 mptt -120.97 130.97 54.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.551 HG22 ' CG ' ' A' ' 17' ' ' ARG . 35.6 m -132.87 156.32 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.432 HG12 ' C ' ' A' ' 15' ' ' PRO . 2.6 m -131.19 143.02 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 m -85.18 146.48 27.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.657 HD11 ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -98.35 118.37 34.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.573 ' CH2' HD12 ' A' ' 95' ' ' LEU . 37.1 m95 -103.19 139.49 38.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 108.0 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -71.73 179.8 0.91 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.053 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.04 149.77 37.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HA ' HG13 ' A' ' 93' ' ' VAL . 18.5 Cg_endo -74.96 138.63 23.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.504 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 23.0 mtp180 -90.91 165.4 13.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.11 99.69 0.93 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.576 1.173 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.421 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.2 mt -96.81 151.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -139.86 110.71 6.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.695 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 39.6 p90 -156.97 175.96 13.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.2 118.44 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.447 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.887 HG13 HD21 ' A' ' 28' ' ' LEU . 77.4 t -53.53 146.65 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.674 ' H ' HD23 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -112.83 109.07 18.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.17 52.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.81 -40.13 0.03 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -156.81 88.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.887 HD21 HG13 ' A' ' 23' ' ' VAL . 66.5 mt -62.91 -27.65 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 86.86 -1.83 87.0 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -153.48 169.14 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.534 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -137.64 176.79 8.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.677 ' HB2' HG13 ' A' ' 73' ' ' VAL . 48.2 mt -120.75 137.64 54.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.54 159.99 40.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.65 -159.65 23.17 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.93 -72.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.774 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.541 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -174.85 138.75 0.62 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.364 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 132.44 27.56 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.981 0.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' N ' ' HA ' ' A' ' 36' ' ' THR . 26.8 m -49.97 159.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.54 ' NE2' ' CZ ' ' A' ' 59' ' ' TYR . 6.8 mt-30 -113.75 -179.78 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.6 t -119.2 108.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -99.8 85.64 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.562 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 1.9 m-85 -56.52 135.01 54.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 mt -115.38 -46.31 2.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -103.36 126.14 33.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.72 14.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -133.07 63.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.556 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.494 ' C ' HD12 ' A' ' 51' ' ' LEU . 6.3 p -119.03 162.49 18.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 108.295 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.4 m -50.09 -62.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.761 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -40.6 -66.98 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.415 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 8.7 t -48.53 -53.94 16.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 47' ' ' CYS . 10.6 mt -51.9 -27.58 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -66.35 -50.19 64.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.48 43.57 0.11 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.562 ' HB3' ' HZ ' ' A' ' 42' ' ' PHE . . . -105.71 165.97 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.29 168.53 19.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.36 156.03 35.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.59 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 73.89 15.76 79.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 57.7 m-20 -79.82 134.3 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 27.1 m-85 -107.32 111.64 24.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.503 HG22 ' CB ' ' A' ' 68' ' ' CYS . 66.2 mt -61.54 134.94 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.577 HG12 ' HG3' ' A' ' 69' ' ' LYS . 1.4 m -117.46 -38.16 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 3.4 m -153.36 162.37 41.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.1 mt -145.83 104.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 68.69 32.21 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.95 -15.97 61.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.713 HG11 HD21 ' A' ' 79' ' ' LEU . 79.1 t -74.02 160.58 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.404 ' N ' HG12 ' A' ' 66' ' ' VAL . 1.6 t0 -88.9 134.35 33.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.503 ' CB ' HG22 ' A' ' 60' ' ' ILE . 56.0 m -145.73 32.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.577 ' HG3' HG12 ' A' ' 61' ' ' VAL . 5.8 ttmm -103.52 -28.27 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -107.93 -20.16 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 107.981 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.5 mt -60.87 150.78 31.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.4 p -85.74 -161.57 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.677 HG13 ' HB2' ' A' ' 32' ' ' LEU . 75.3 t -76.07 -39.22 36.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -69.89 -56.9 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.62 -67.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' LEU . 66.8 t -44.81 -60.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.0 mmt -39.26 -63.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -51.47 -34.97 37.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.713 HD21 HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -67.7 -29.68 69.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 77' ' ' MET . 4.9 mt -78.26 -47.39 18.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -51.16 -52.11 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.3 t -44.2 -37.59 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.653 ' HB3' HG11 ' A' ' 88' ' ' VAL . 22.2 m-85 -98.17 38.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -71.63 125.72 11.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.094 . . . . 0.0 110.962 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.27 32.77 83.07 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.745 ' O ' HG13 ' A' ' 88' ' ' VAL . 4.4 mt-10 -136.81 123.51 21.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.94 115.0 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.745 HG13 ' O ' ' A' ' 86' ' ' GLU . 15.6 m -121.92 164.53 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -111.07 102.09 10.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.2 ttp -91.55 142.94 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 17' ' ' ARG . 1.4 mtmt -124.99 132.24 53.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 31.8 m -131.84 162.05 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -140.3 139.88 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.15 135.0 33.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.989 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.573 HD12 ' CH2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -82.74 130.26 35.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -121.05 127.3 51.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 107.987 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -63.69 178.63 0.39 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.96 147.92 34.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.459 1.768 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -74.95 147.51 34.26 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.636 ' HG3' HG22 ' A' ' 92' ' ' VAL . 2.3 ptp85 -111.19 127.53 55.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.32 103.56 2.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' A' ' 54' ' ' ALA . 2.6 mt -95.61 146.35 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.43 111.31 13.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.567 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.483 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 23.6 p90 -156.73 173.7 16.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -110.82 135.34 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.926 HG12 ' H ' ' A' ' 25' ' ' GLU . 87.5 t -67.41 135.51 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.3 mp0 -80.71 5.35 15.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.926 ' H ' HG12 ' A' ' 23' ' ' VAL . 3.4 pt-20 32.69 58.19 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 134.98 -46.44 1.04 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 1.8 m-20 -103.82 49.95 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.919 HD21 HG13 ' A' ' 23' ' ' VAL . 14.2 mt -48.2 -34.68 10.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.2 -0.02 74.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -159.74 175.02 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -134.83 177.06 8.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.685 ' HB2' HG13 ' A' ' 73' ' ' VAL . 19.0 mt -118.78 133.95 55.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -130.59 155.79 45.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.84 -159.88 20.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -110.47 -69.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.547 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -176.88 138.99 0.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.0 132.71 28.47 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.994 -2.502 . . . . 0.0 110.997 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.46 ' N ' ' HA ' ' A' ' 36' ' ' THR . 22.2 m -54.4 147.32 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.597 ' OE1' ' CE2' ' A' ' 59' ' ' TYR . 3.9 mt-30 -101.85 -173.51 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -119.09 106.27 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -93.81 65.6 3.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.585 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.509 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 1.4 m-85 -44.18 133.41 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.4 mt -116.9 -41.61 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -108.7 114.26 58.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 0.77 8.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.768 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -122.29 37.25 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.616 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.529 ' C ' HD12 ' A' ' 51' ' ' LEU . 28.3 p -101.83 159.08 15.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' ALA . 13.0 p -48.73 -58.93 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.741 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -39.31 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -47.69 -52.8 17.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.529 HD12 ' C ' ' A' ' 47' ' ' CYS . 13.4 mt -51.72 -25.72 7.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -69.77 -56.61 6.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.68 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -113.23 167.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -145.24 159.64 42.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.23 170.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.555 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 64.14 12.8 51.31 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 32.8 m-20 -81.53 133.3 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.597 ' CE2' ' OE1' ' A' ' 39' ' ' GLN . 17.3 m-85 -104.96 114.56 28.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.8 mt -65.74 128.18 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.2 m -109.83 -39.53 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 39.2 m -157.28 167.39 30.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.573 HD13 ' HG ' ' A' ' 80' ' ' LEU . 97.0 mt -141.62 114.87 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.19 -57.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.81 36.69 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.142 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' SER . 67.3 t -125.44 157.46 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.85 122.62 27.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.6 m -134.66 46.37 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 108.319 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.19 -28.39 9.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -106.44 -36.4 6.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 107.996 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.5 mt -40.45 151.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.9 p -89.58 -159.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.685 HG13 ' HB2' ' A' ' 32' ' ' LEU . 7.5 t -79.21 -32.06 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -73.09 -61.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.046 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.98 -58.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' LEU . 82.8 t -56.3 -60.56 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.584 ' HG2' HD12 ' A' ' 32' ' ' LEU . 3.8 mmt -37.99 -39.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.047 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -75.47 -47.1 28.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -57.49 -22.67 45.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HG ' HD13 ' A' ' 63' ' ' ILE . 3.9 mt -88.75 -48.62 7.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 84' ' ' GLY . 21.5 mttt -56.38 -47.27 79.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.7 t -45.57 -35.55 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 29.4 m-85 -95.77 35.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.464 ' CA ' ' HB3' ' A' ' 25' ' ' GLU . . . -60.85 126.64 41.34 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.32 35.31 90.76 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.74 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.0 mm-40 -139.16 122.97 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.2 123.38 13.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.74 HG13 ' O ' ' A' ' 86' ' ' GLU . 9.5 m -126.79 168.92 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.359 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -116.91 99.05 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.462 ' SD ' HG13 ' A' ' 92' ' ' VAL . 0.1 OUTLIER -92.69 133.69 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.83 137.57 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.636 HG22 ' HG3' ' A' ' 17' ' ' ARG . 34.0 m -137.15 150.01 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -132.55 168.12 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.0 m -107.71 151.79 25.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.1 tp -102.7 128.99 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.267 -0.272 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.533 ' CZ2' HD13 ' A' ' 95' ' ' LEU . 55.4 m95 -119.01 154.97 32.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -88.48 179.45 1.65 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.2 Cg_endo -75.05 148.33 34.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -75.03 129.34 12.22 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.513 ' HG2' HG23 ' A' ' 92' ' ' VAL . 13.4 ptp180 -84.8 158.67 20.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.9 105.32 2.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.643 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.7 mt -99.86 148.92 6.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.767 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -140.61 110.78 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.476 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 36.0 p90 -157.0 177.5 11.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -115.21 122.44 46.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.436 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 39.6 t -57.06 165.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 28.2 mt-10 -131.34 85.61 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -69.62 57.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -171.06 -39.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -157.99 100.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 24' ' ' GLU . 69.3 mt -84.93 147.43 26.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -93.44 23.44 30.12 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -171.34 176.26 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.534 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -143.1 176.66 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.412 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.534 ' N ' ' OG1' ' A' ' 31' ' ' THR . 44.6 mt -124.59 124.55 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.0 163.74 24.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.17 -154.64 21.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.03 -79.2 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.548 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.5 t -170.96 139.88 1.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.5 Cg_endo -74.92 132.73 28.5 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.007 -0.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.501 HG12 HG23 ' A' ' 73' ' ' VAL . 15.6 m -54.93 142.72 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.43 ' NE2' ' CZ ' ' A' ' 59' ' ' TYR . 8.2 mt-30 -96.08 -172.58 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.1 t -125.44 115.65 44.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -106.74 87.49 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.545 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.56 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 5.7 m-85 -57.86 128.84 39.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.1 mt -103.9 -29.26 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.06 128.45 24.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.567 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 18.5 Cg_endo -74.98 -9.71 20.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -131.61 65.73 1.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.473 ' CB ' ' HA3' ' A' ' 29' ' ' GLY . 1.2 p -108.32 -104.58 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 108.326 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' ALA . 40.6 m -146.75 -55.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -53.8 -45.04 70.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.7 t -64.29 -49.37 72.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 47' ' ' CYS . 45.1 mt -65.81 -21.25 66.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -68.16 -61.27 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.08 43.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.643 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -121.86 157.53 30.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 pttm -132.84 169.04 17.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -69.25 131.69 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.561 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 94.79 19.26 32.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 76.0 m-20 -83.22 133.03 35.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 20.3 m-85 -105.82 113.87 27.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.6 mt -61.4 127.83 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.515 ' CG1' HG22 ' A' ' 93' ' ' VAL . 31.0 m -113.11 -35.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 61.2 m -159.64 155.11 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.419 HD13 ' HG ' ' A' ' 80' ' ' LEU . 69.8 mt -135.32 113.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 75.3 -55.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.25 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.73 36.92 0.05 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 62' ' ' SER . 64.3 t -126.12 161.82 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -89.9 115.14 26.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.447 ' SG ' HD12 ' A' ' 71' ' ' LEU . 29.1 m -124.18 39.1 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.15 -25.47 14.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -104.6 -34.91 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.447 HD12 ' SG ' ' A' ' 68' ' ' CYS . 14.9 mt -48.53 158.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 76' ' ' VAL . 9.6 p -99.83 -152.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.501 HG23 HG12 ' A' ' 38' ' ' VAL . 3.1 t -78.62 -42.02 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -39.43 -57.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' LEU . 81.9 t -57.59 -54.85 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.421 ' SD ' ' CE ' ' A' ' 81' ' ' LYS . 1.7 mmt -42.29 -44.68 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -71.84 -36.14 70.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -66.96 -23.47 65.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 80' ' ' LEU . 6.9 mt -89.81 -47.35 7.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.421 ' CE ' ' SD ' ' A' ' 77' ' ' MET . 14.0 mttt -57.86 -48.44 79.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -47.11 -38.87 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.606 ' HB3' HG11 ' A' ' 88' ' ' VAL . 23.0 m-85 -94.55 39.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.36 129.74 23.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.0 33.71 86.53 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.798 ' O ' HG13 ' A' ' 88' ' ' VAL . 3.5 mt-10 -137.03 121.19 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.27 113.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 86' ' ' GLU . 5.1 m -118.81 177.78 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.24 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -126.33 98.54 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 44.5 ttp -95.94 126.95 41.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 61' ' ' VAL . 21.7 mtpt -106.22 141.25 37.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.513 HG23 ' HG2' ' A' ' 17' ' ' ARG . 10.6 m -136.32 156.66 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.515 HG22 ' CG1' ' A' ' 61' ' ' VAL . 3.9 m -130.12 167.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.64 132.18 53.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.533 HD13 ' CZ2' ' A' ' 13' ' ' TRP . 11.1 tp -80.79 122.16 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 95' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -118.05 154.12 32.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 107.988 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -89.16 179.67 1.53 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.04 151.49 39.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.03 126.61 10.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 91' ' ' LYS . 18.4 mtp180 -85.97 153.43 22.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.45 110.31 3.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.641 HD13 ' HB2' ' A' ' 54' ' ' ALA . 9.8 mt -106.04 151.75 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -140.36 110.41 6.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.579 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 34.1 p90 -157.12 174.44 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -114.18 108.16 16.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.53 HG22 HD22 ' A' ' 80' ' ' LEU . 37.8 t -43.05 164.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.466 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 3.6 mt-10 -126.96 84.68 2.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.06 58.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.28 -40.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -155.68 105.92 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 24' ' ' GLU . 76.3 mt -92.92 147.45 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.9 24.96 30.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -168.93 163.18 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.607 HG22 HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -129.43 176.87 7.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB2' HG13 ' A' ' 73' ' ' VAL . 81.6 mt -120.51 113.6 20.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -113.2 157.2 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.57 -166.19 30.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.08 -71.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.562 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.2 t -175.63 141.31 0.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.04 132.25 26.93 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.992 0.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' N ' ' HA ' ' A' ' 36' ' ' THR . 28.8 m -53.24 156.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.424 ' HG3' ' CD2' ' A' ' 59' ' ' TYR . 4.3 mt-30 -110.94 -171.35 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 58' ' ' ASP . 87.6 t -125.47 112.5 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 42' ' ' PHE . 6.6 t60 -100.08 64.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.583 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.616 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -36.18 126.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.607 HD11 HG22 ' A' ' 31' ' ' THR . 32.4 mt -111.01 -30.04 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -126.58 113.82 22.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.471 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 18.4 Cg_endo -74.95 1.08 8.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.457 1.767 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 45' ' ' PRO . 34.6 m170 -144.45 60.76 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.627 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 p -114.99 -50.44 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.517 ' N ' HD12 ' A' ' 51' ' ' LEU . 1.6 m 170.33 -67.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.686 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -41.48 -56.43 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -44.15 75.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 48' ' ' SER . 2.0 mt -66.26 -16.69 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -73.83 -55.5 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.79 44.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -111.52 174.77 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -148.28 166.58 27.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -71.31 139.92 50.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.57 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 87.98 15.62 60.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' O ' HG23 ' A' ' 40' ' ' VAL . 75.4 m-20 -77.9 129.2 35.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 25.1 m-85 -103.09 117.54 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.469 HD12 HG23 ' A' ' 38' ' ' VAL . 9.6 mt -67.33 126.26 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' CYS . 6.8 m -114.06 -38.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.8 m -151.35 162.55 40.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.789 ' H ' HG12 ' A' ' 66' ' ' VAL . 34.9 mt -147.66 106.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 77.38 -0.31 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.42 10.89 10.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.91 HG11 ' CD2' ' A' ' 79' ' ' LEU . 4.3 p -84.49 -177.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.738 ' H ' HG22 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -114.89 93.72 4.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 61' ' ' VAL . 63.8 m -110.08 43.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.7 -24.83 13.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -110.39 -36.43 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.027 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.439 HD12 ' SG ' ' A' ' 68' ' ' CYS . 20.5 mt -41.81 154.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.5 p -94.15 -151.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.564 HG13 ' HB2' ' A' ' 32' ' ' LEU . 52.9 t -82.72 -51.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 t -55.03 -44.98 75.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.41 -71.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.454 HG12 HD11 ' A' ' 32' ' ' LEU . 55.0 t -40.98 -59.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.4 mmt -37.75 -51.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -67.44 -41.07 85.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.91 ' CD2' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -59.0 -31.0 68.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.53 HD22 HG22 ' A' ' 23' ' ' VAL . 6.7 mt -84.72 -46.17 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -53.99 -50.94 65.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 t -47.79 -43.39 27.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.699 ' HB3' HG11 ' A' ' 88' ' ' VAL . 16.0 m-30 -89.74 42.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.61 134.01 15.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.5 23.98 65.41 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.634 ' O ' HG13 ' A' ' 88' ' ' VAL . 4.0 mt-10 -127.92 125.93 40.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 0.801 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.48 110.19 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.699 HG11 ' HB3' ' A' ' 83' ' ' PHE . 4.5 m -116.19 175.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -121.5 99.66 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -91.99 137.71 32.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -114.61 137.64 51.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.503 ' CG1' ' SD ' ' A' ' 90' ' ' MET . 15.5 m -133.64 149.15 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.432 HG12 ' C ' ' A' ' 15' ' ' PRO . 2.3 m -128.56 140.63 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -86.03 145.42 27.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.4 tp -97.23 129.86 44.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -115.8 151.61 34.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.001 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -85.39 174.78 5.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.481 ' C ' HG12 ' A' ' 93' ' ' VAL . 18.2 Cg_endo -74.98 155.01 42.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 142.03 27.16 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.578 ' HG3' HG22 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -108.67 130.2 55.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.35 99.73 2.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.464 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.4 mt -90.21 150.04 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 0.795 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 110.62 10.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.629 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.586 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 27.8 p90 -157.14 171.01 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.23 119.9 39.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG13 HD21 ' A' ' 28' ' ' LEU . 58.4 t -58.64 145.34 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.6 115.17 23.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.36 47.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.99 -42.47 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 111.052 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -151.13 97.58 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.445 HD21 HG13 ' A' ' 23' ' ' VAL . 54.2 mt -73.65 -24.59 60.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.34 -1.9 63.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -151.48 176.84 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -145.03 177.3 8.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.536 ' N ' ' OG1' ' A' ' 31' ' ' THR . 22.7 mt -133.21 128.68 36.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.584 ' HG3' ' CE1' ' A' ' 41' ' ' HIS . 0.7 OUTLIER -87.09 160.79 18.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.52 110.01 2.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 175.82 -165.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.475 ' HA ' ' N ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -168.47 127.94 1.0 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.0 128.09 15.72 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.986 0.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' N ' ' HA ' ' A' ' 36' ' ' THR . 14.7 m -40.63 136.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 62.9 mt-30 -106.42 146.32 30.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.9 t -82.18 136.97 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.584 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 6.5 m-70 -126.57 70.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.562 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.675 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 9.7 m-85 -38.41 133.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 43' ' ' LEU . 13.6 mt -107.91 -26.53 10.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.95 130.7 24.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -7.52 19.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -125.52 58.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.613 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.447 ' C ' HD12 ' A' ' 51' ' ' LEU . 12.8 p -113.83 153.3 29.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.252 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -48.01 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.755 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -40.48 -62.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -52.73 -47.54 67.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.01 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.447 HD12 ' C ' ' A' ' 47' ' ' CYS . 5.9 mt -62.9 -17.76 62.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -71.97 -57.79 4.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.4 44.47 0.03 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.705 ' HB1' ' OD2' ' A' ' 58' ' ' ASP . . . -115.56 166.57 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 0.728 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -129.39 -171.74 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.81 135.74 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 88.38 14.01 62.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.705 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 45.2 m-20 -60.87 125.3 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.602 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 60.6 m-85 -98.94 98.36 9.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 68' ' ' CYS . 36.0 mt -56.1 133.75 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 91' ' ' LYS . 4.4 m -116.44 -37.68 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 40.0 m -161.05 156.95 25.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.418 HD13 ' HG ' ' A' ' 80' ' ' LEU . 87.9 mt -132.54 112.23 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 74.38 -56.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.7 36.59 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 62' ' ' SER . 57.1 t -125.55 153.67 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.367 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.0 124.08 28.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.415 ' SG ' HD12 ' A' ' 71' ' ' LEU . 95.3 m -136.09 53.42 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 108.286 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -106.91 -36.5 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 71' ' ' LEU . 4.7 m95 -103.85 -33.65 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.052 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.415 HD12 ' SG ' ' A' ' 68' ' ' CYS . 16.7 mt -39.5 149.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.5 p -90.41 -158.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 12.6 t -74.71 -51.57 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 t -55.8 -58.22 8.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.44 -55.28 3.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' LEU . 53.4 t -63.76 -61.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -39.65 -45.9 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -65.44 -44.07 88.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.463 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -63.02 -23.8 67.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HG ' HD13 ' A' ' 63' ' ' ILE . 5.1 mt -86.56 -47.5 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 84' ' ' GLY . 19.9 mttt -56.91 -49.31 75.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.6 t -44.06 -37.81 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.515 ' HB3' HG11 ' A' ' 88' ' ' VAL . 25.0 m-85 -95.5 40.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -71.43 126.84 13.34 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.5 21.53 77.6 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.615 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.2 mt-10 -131.73 123.06 26.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 0.731 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 2.4 tt0 -60.44 123.48 17.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 86' ' ' GLU . 6.2 m -124.68 171.83 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -115.68 100.86 8.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.432 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 34.2 ttp -92.16 136.89 32.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.457 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -115.33 128.57 56.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.578 HG22 ' HG3' ' A' ' 17' ' ' ARG . 34.3 m -133.77 154.53 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.481 HG12 ' C ' ' A' ' 15' ' ' PRO . 3.6 m -133.81 163.55 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -104.88 165.68 10.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.426 ' C ' HD13 ' A' ' 96' ' ' LEU . 37.6 tp -114.19 126.7 55.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.533 ' CE2' HD13 ' A' ' 95' ' ' LEU . 61.7 m95 -118.99 150.3 40.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -80.89 173.31 7.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.993 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.47 ' C ' HG12 ' A' ' 93' ' ' VAL . 18.3 Cg_endo -74.97 147.85 34.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.01 128.8 11.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.505 ' HG2' HG23 ' A' ' 92' ' ' VAL . 9.5 ptp180 -91.44 160.97 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.02 114.39 4.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.426 1.079 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.458 HD13 ' HB2' ' A' ' 54' ' ' ALA . 3.1 mt -109.02 154.6 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.555 0.797 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -139.82 110.3 6.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.674 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 34.9 p90 -157.41 174.53 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -109.57 128.23 55.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 40.8 t -66.38 165.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.482 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.4 mm-40 -131.05 84.69 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.43 59.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -170.92 -39.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -157.34 107.49 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.24 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 99.6 mt -95.25 146.3 24.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -90.54 19.87 41.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -166.75 176.1 7.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 0.795 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -143.88 177.01 8.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.533 ' N ' ' OG1' ' A' ' 31' ' ' THR . 49.4 mt -116.21 123.12 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -121.27 156.96 31.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.9 -165.35 30.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -101.86 -72.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.562 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.7 t -174.61 140.79 0.72 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 133.49 31.67 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.055 -2.477 . . . . 0.0 110.942 0.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.454 ' N ' ' HA ' ' A' ' 36' ' ' THR . 19.6 m -55.11 152.9 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.46 ' NE2' ' CE2' ' A' ' 59' ' ' TYR . 2.6 mt-30 -106.65 -169.98 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 50.0 t -123.04 103.55 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -96.35 67.14 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.627 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.449 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 1.4 m-85 -41.57 137.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -111.82 -35.59 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -113.34 128.05 26.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.79 11.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.431 ' HA ' HD21 ' A' ' 51' ' ' LEU . 24.1 m80 -136.68 64.07 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.544 ' O ' ' C ' ' A' ' 48' ' ' SER . 5.4 p -120.95 141.95 50.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.544 ' C ' ' O ' ' A' ' 47' ' ' CYS . 0.4 OUTLIER -28.0 -64.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.53 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -38.36 -56.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 47' ' ' CYS . 9.5 t -63.62 -47.42 81.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -53.96 -25.13 19.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.674 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -72.48 -58.5 3.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.81 44.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -109.43 163.97 12.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -141.44 172.98 11.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.97 172.91 9.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 59.38 19.63 47.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 48.1 m-20 -89.15 130.33 35.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.46 ' CE2' ' NE2' ' A' ' 39' ' ' GLN . 14.2 m-85 -105.58 115.34 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.4 ' CD1' HG23 ' A' ' 38' ' ' VAL . 2.6 mp -65.65 127.65 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.7 m -109.6 -39.48 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 71.0 m -154.21 160.26 41.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.452 HD13 ' HG ' ' A' ' 80' ' ' LEU . 90.3 mt -138.23 114.07 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 75.35 -57.12 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.64 37.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 62' ' ' SER . 62.9 t -124.14 162.89 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.44 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -90.85 114.72 27.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.843 ' SG ' HD12 ' A' ' 71' ' ' LEU . 53.1 m -126.87 49.94 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 108.253 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.74 -8.8 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -132.55 10.68 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.843 HD12 ' SG ' ' A' ' 68' ' ' CYS . 30.0 mt -87.24 155.04 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.9 p -86.94 -168.64 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.7 t -75.98 -27.34 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -79.43 -53.85 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -44.88 -63.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 79' ' ' LEU . 71.8 t -51.45 -54.23 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 mmt -46.85 -29.26 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -33.42 22.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -71.81 -22.94 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HG ' HD13 ' A' ' 63' ' ' ILE . 9.9 mt -88.72 -49.86 6.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' GLY . 18.9 mttm -54.83 -48.26 73.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -45.96 -42.13 12.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.624 ' HB3' HG11 ' A' ' 88' ' ' VAL . 24.8 m-85 -92.21 35.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -62.05 136.28 45.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 53.64 27.93 36.37 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.772 ' O ' HG13 ' A' ' 88' ' ' VAL . 1.6 mt-10 -128.99 121.02 27.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.56 119.61 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.772 HG13 ' O ' ' A' ' 86' ' ' GLU . 5.2 m -128.5 174.6 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.81 100.44 7.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.624 ' SD ' HG13 ' A' ' 92' ' ' VAL . 0.1 OUTLIER -92.11 140.61 29.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -113.96 138.54 50.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.624 HG13 ' SD ' ' A' ' 90' ' ' MET . 15.6 m -135.86 155.45 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.47 HG12 ' C ' ' A' ' 15' ' ' PRO . 3.2 m -135.64 159.86 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.59 133.39 46.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.047 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.533 HD13 ' CE2' ' A' ' 13' ' ' TRP . 20.4 tp -89.62 114.18 25.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.437 HD13 ' N ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CH2' ' HG ' ' A' ' 95' ' ' LEU . 40.4 m95 -120.87 155.78 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.536 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -86.57 179.94 1.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.05 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.5 Cg_endo -75.0 148.86 35.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -74.93 149.71 37.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.622 ' HG3' HG22 ' A' ' 92' ' ' VAL . 1.3 ptp85 -109.05 125.59 52.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.358 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.4 103.48 1.84 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.487 HD13 ' HB2' ' A' ' 54' ' ' ALA . 5.4 mt -96.08 148.75 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -131.75 110.39 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.606 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 39.6 p90 -157.31 172.66 18.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.45 120.75 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.765 HG13 HD21 ' A' ' 28' ' ' LEU . 54.1 t -59.98 148.88 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.657 ' H ' HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -121.64 115.07 22.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.466 ' CG ' ' HA3' ' A' ' 84' ' ' GLY . 9.6 mt-10 -79.46 52.14 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.29 -38.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.69 92.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.765 HD21 HG13 ' A' ' 23' ' ' VAL . 71.1 mt -73.23 -38.36 66.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.65 6.5 59.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 28' ' ' LEU . 5.5 p90 -167.12 161.32 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -128.64 177.44 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.542 ' N ' ' OG1' ' A' ' 31' ' ' THR . 15.2 mt -125.71 143.14 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.502 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 1.9 mmt180 -96.41 159.85 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -72.27 112.23 3.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.516 ' C ' ' CG2' ' A' ' 36' ' ' THR . 1.4 m120 158.85 -177.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.516 ' CG2' ' C ' ' A' ' 35' ' ' ASN . 1.5 p -154.43 129.04 4.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.02 135.24 39.6 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.006 0.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 15.9 m -52.75 141.62 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.528 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 38.2 mt-30 -91.65 -175.28 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.3 t -123.76 121.14 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' PHE . 12.1 t60 -110.99 66.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.763 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -36.62 142.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD11 HG22 ' A' ' 31' ' ' THR . 63.7 mt -117.52 -39.46 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.374 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.43 115.18 42.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.37 7.83 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.429 1.752 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -132.67 44.71 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.4 172.66 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 108.324 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . 47.4 m -53.11 -67.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.735 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -40.16 -66.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.475 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . 1.9 t -44.5 -58.22 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 mt -51.75 -42.96 62.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -42.91 -67.63 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.95 44.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.763 ' HB3' ' HZ ' ' A' ' 42' ' ' PHE . . . -105.79 177.53 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.54 177.03 8.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -88.97 120.76 30.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 110.08 -12.66 31.6 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 74.2 m-20 -39.73 137.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.678 ' CE2' HD12 ' A' ' 95' ' ' LEU . 21.9 m-85 -111.08 98.88 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.687 ' HA ' HG12 ' A' ' 92' ' ' VAL . 84.5 mt -49.8 117.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.7 p -107.23 -26.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 73.8 m -167.18 161.36 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.455 HD13 ' HG ' ' A' ' 80' ' ' LEU . 62.9 mt -144.91 113.97 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 69.94 6.57 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.95 4.82 33.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.434 HG11 HD11 ' A' ' 79' ' ' LEU . 85.3 t -85.52 152.04 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.78 114.95 19.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.438 ' SG ' HD12 ' A' ' 71' ' ' LEU . 64.7 m -131.71 56.57 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 -29.83 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -107.58 -34.09 7.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.438 HD12 ' SG ' ' A' ' 68' ' ' CYS . 11.5 mt -41.17 145.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 50.8 p -90.35 -172.42 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 9.8 t -61.55 -45.99 97.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.2 p -61.14 -63.64 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -40.0 -62.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 110.267 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 79' ' ' LEU . 53.6 t -51.03 -61.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.451 ' HE3' ' HG ' ' A' ' 32' ' ' LEU . 4.1 mmt -39.43 -50.92 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -60.72 -43.44 97.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -61.16 -28.73 69.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.491 HD22 HG22 ' A' ' 23' ' ' VAL . 6.2 mt -84.33 -47.15 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' GLY . 8.4 mttt -54.44 -48.56 71.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.3 t -44.99 -37.33 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.518 ' CB ' HG11 ' A' ' 88' ' ' VAL . 19.6 m-85 -94.87 35.6 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.466 ' HA3' ' CG ' ' A' ' 25' ' ' GLU . . . -68.6 121.42 12.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.12 21.92 66.7 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -136.31 138.43 41.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 2.9 tt0 -72.11 128.83 36.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.518 HG11 ' CB ' ' A' ' 83' ' ' PHE . 10.9 m -131.41 165.46 31.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.0 102.94 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.9 ttp -92.09 139.45 30.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.45 126.95 50.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 60' ' ' ILE . 33.6 m -133.27 141.28 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.8 m -115.24 151.03 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 t -85.58 165.72 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.945 ' C ' HD13 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -114.37 125.54 53.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.945 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.626 ' CZ2' HD13 ' A' ' 95' ' ' LEU . 56.1 m95 -122.2 150.06 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -83.25 178.49 2.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.95 147.79 34.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.5 Cg_endo -75.01 133.15 16.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 92' ' ' VAL . 13.0 ptp180 -95.68 150.7 20.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.95 109.11 3.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.733 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.3 mt -99.49 151.46 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.85 110.57 7.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.611 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.708 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 25.2 p90 -156.97 173.23 17.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.2 106.94 15.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.1 t -41.37 156.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.96 98.65 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.39 54.18 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.08 -37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.4 80.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.5 mt -54.17 -42.04 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.09 3.75 69.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -159.32 174.17 15.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.576 HG22 ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -132.31 178.72 6.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.448 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.533 ' N ' ' OG1' ' A' ' 31' ' ' THR . 88.9 mt -124.55 112.37 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.69 166.51 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.66 -177.36 53.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.91 -71.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.523 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.1 t -173.51 138.49 0.77 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.02 132.06 26.32 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.991 0.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.457 ' N ' ' HA ' ' A' ' 36' ' ' THR . 24.3 m -51.09 154.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.479 ' O ' HD23 ' A' ' 32' ' ' LEU . 5.2 mt-30 -101.24 -178.74 3.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -122.42 99.66 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.47 ' HB3' HG23 ' A' ' 31' ' ' THR . 0.7 OUTLIER -95.23 104.51 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.566 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.681 ' HE1' ' HB3' ' A' ' 49' ' ' ALA . 5.7 m-85 -80.58 110.24 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.576 ' CD2' HG22 ' A' ' 31' ' ' THR . 1.3 mm? -85.15 -34.37 22.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -119.83 136.39 24.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.72 5.95 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.511 1.796 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -95.26 29.39 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.627 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.566 ' O ' HD12 ' A' ' 51' ' ' LEU . 6.6 p -62.49 -121.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -144.87 -49.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.681 ' HB3' ' HE1' ' A' ' 42' ' ' PHE . . . -60.91 -52.09 66.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 t -55.36 -36.49 66.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 47' ' ' CYS . 32.2 mt -70.48 -44.57 67.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.708 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -45.16 -65.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 162.59 43.52 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -120.05 172.29 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -137.58 -179.49 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.24 156.81 27.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.514 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 71.17 20.14 77.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -85.6 137.18 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 0.739 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.514 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 18.0 m-85 -108.21 121.9 45.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.33 130.1 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 91' ' ' LYS . 5.9 m -110.4 -36.75 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 58.4 m -152.63 157.37 40.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.994 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.675 ' H ' HG12 ' A' ' 66' ' ' VAL . 11.9 mt -134.86 99.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER 77.89 -3.26 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.267 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 136.42 -30.41 2.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.767 HG11 ' CD2' ' A' ' 79' ' ' LEU . 4.5 p -50.36 178.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.678 ' H ' HG22 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -116.69 100.89 8.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' VAL . 36.9 m -109.18 44.1 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.21 -24.46 13.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -110.23 -39.32 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.406 HD12 ' SG ' ' A' ' 68' ' ' CYS . 32.2 mt -40.75 159.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 76' ' ' VAL . 16.6 p -100.34 -156.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.3 t -76.45 -49.52 24.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 t -53.64 -66.29 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.49 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' LEU . 70.6 t -41.09 -62.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.408 ' HG2' HD12 ' A' ' 32' ' ' LEU . 1.8 mmt -39.0 -49.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -41.58 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.767 ' CD2' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -60.76 -30.7 70.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mt -83.49 -46.03 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -57.3 -41.83 80.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.9 t -54.82 -44.88 74.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.597 ' HB3' HG11 ' A' ' 88' ' ' VAL . 21.5 m-85 -88.68 37.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.21 126.81 10.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.35 27.12 73.18 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.654 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.3 mt-10 -133.29 124.62 27.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.29 111.84 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 86' ' ' GLU . 4.7 m -118.13 -178.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -124.67 101.02 6.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.509 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 31.0 ttp -91.98 135.7 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -113.46 130.87 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 17' ' ' ARG . 28.2 m -128.38 154.74 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.14 168.75 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.68 141.6 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.626 HD13 ' CZ2' ' A' ' 13' ' ' TRP . 16.5 tp -96.37 115.48 27.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.497 ' CZ3' ' HB2' ' A' ' 95' ' ' LEU . 76.2 m95 -111.25 156.25 21.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.548 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -94.17 -179.63 1.03 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.997 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.98 149.19 36.42 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 151.39 39.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' CD ' ' CG2' ' A' ' 92' ' ' VAL . 11.3 ptp180 -109.75 151.02 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.84 111.04 4.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.728 HD13 ' HB2' ' A' ' 54' ' ' ALA . 5.7 mt -105.54 150.91 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -138.32 111.53 7.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.618 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.494 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 46.5 p90 -153.91 171.69 18.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.588 HG23 ' HA2' ' A' ' 85' ' ' GLY . 1.6 m -111.07 107.33 16.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 41.8 t -43.2 163.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -136.41 110.52 8.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -83.66 49.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.32 -41.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -149.84 90.64 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.1 -25.55 67.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.82 5.56 69.86 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -160.89 163.49 31.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.516 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -129.93 176.89 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.569 ' HB2' HG13 ' A' ' 73' ' ' VAL . 50.2 mt -118.8 150.36 39.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.491 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 12.1 mmt180 -97.39 160.82 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -80.77 108.84 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.522 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 1.1 m120 154.05 -170.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.532 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -156.98 135.66 7.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.449 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.02 130.43 21.28 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.967 0.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.487 ' N ' ' HA ' ' A' ' 36' ' ' THR . 27.7 m -49.49 146.4 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.554 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 1.0 OUTLIER -101.77 -170.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -126.31 119.79 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -102.27 65.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.57 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.598 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 2.7 m-85 -38.4 126.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 43' ' ' LEU . 25.5 mt -109.48 -29.14 8.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -130.33 119.12 18.43 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.47 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.508 ' HA ' HD11 ' A' ' 51' ' ' LEU . 32.0 m170 -134.61 51.85 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' SER . 6.9 p -104.22 -49.34 3.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.4 OUTLIER 158.41 -65.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -44.12 -50.0 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.467 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 5.5 t -58.96 -47.44 85.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.508 HD11 ' HA ' ' A' ' 46' ' ' HIS . 1.3 mt -65.47 -24.97 67.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -62.48 -63.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.53 42.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.728 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -118.03 161.72 19.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 0.81 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 10.3 mttt -143.14 153.69 43.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -48.94 115.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 115.64 24.95 3.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.74 ' HB3' HG11 ' A' ' 92' ' ' VAL . 55.8 m-20 -84.75 115.55 22.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.554 ' CZ ' ' CD ' ' A' ' 39' ' ' GLN . 28.4 m-85 -93.81 101.04 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.855 HD13 HG11 ' A' ' 76' ' ' VAL . 26.1 mt -48.62 116.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 p -110.24 -39.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -145.66 170.13 17.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.934 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 62' ' ' SER . 14.7 mt -156.57 101.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 71.7 17.14 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.7 10.9 54.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.606 HG11 HD21 ' A' ' 79' ' ' LEU . 98.6 t -90.62 163.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.471 ' N ' HG12 ' A' ' 66' ' ' VAL . 6.2 t0 -88.91 113.82 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.415 ' SG ' HD12 ' A' ' 71' ' ' LEU . 87.9 m -134.87 49.45 2.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 108.309 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.14 -27.3 12.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -109.39 -35.48 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.415 HD12 ' SG ' ' A' ' 68' ' ' CYS . 10.8 mt -40.71 147.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.1 p -96.3 -155.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' A' ' 32' ' ' LEU . 41.6 t -74.52 -51.74 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.7 t -49.86 -60.84 2.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.31 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.855 HG11 HD13 ' A' ' 60' ' ' ILE . 75.9 t -41.97 -59.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 76' ' ' VAL . 4.0 mmt -37.22 -55.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -42.98 95.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.606 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -59.25 -24.24 63.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' VAL . 5.5 mt -90.47 -51.83 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -55.37 -48.27 74.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.5 t -45.14 -36.94 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 23.5 m-85 -97.03 40.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.08 124.2 35.33 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.588 ' HA2' HG23 ' A' ' 22' ' ' THR . . . 44.87 43.05 8.13 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -117.15 -3.66 11.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 60.65 111.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.489 HG11 ' CB ' ' A' ' 83' ' ' PHE . 5.6 m -134.68 172.26 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -116.84 105.42 12.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.466 ' HE2' ' HB3' ' A' ' 90' ' ' MET . 18.3 ttp -91.65 134.16 34.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -110.07 134.35 52.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.74 HG11 ' HB3' ' A' ' 58' ' ' ASP . 26.8 m -134.94 143.72 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.408 HG12 ' C ' ' A' ' 15' ' ' PRO . 1.4 m -118.27 163.08 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.31 146.09 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.497 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 24.4 tp -98.67 121.14 40.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.444 ' O ' HD22 ' A' ' 96' ' ' LEU . 1.1 tmt_? . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -109.72 156.57 20.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.022 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -92.52 179.33 1.36 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.002 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.2 Cg_endo -75.0 149.33 36.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -74.95 138.12 22.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' NH1' ' CG2' ' A' ' 92' ' ' VAL . 1.0 OUTLIER -87.08 174.26 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.38 86.92 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.775 HD13 ' HB2' ' A' ' 54' ' ' ALA . 7.4 mt -89.62 149.41 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.3 110.72 9.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.59 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.564 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 13.4 p90 -154.97 176.22 12.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.99 112.27 23.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.545 HG13 HD21 ' A' ' 28' ' ' LEU . 54.2 t -49.49 135.67 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 2.7 tt0 -108.43 113.44 26.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.26 13.69 6.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 27' ' ' ASP . . . -126.43 -4.51 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 1.8 t70 174.17 66.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.545 HD21 HG13 ' A' ' 23' ' ' VAL . 15.9 mt -37.35 -37.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.18 -35.41 4.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.42 1.075 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -126.07 -171.9 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.799 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -144.08 176.33 9.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.372 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.799 HD23 ' O ' ' A' ' 31' ' ' THR . 21.1 mt -129.32 122.22 29.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.12 161.53 39.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.34 -164.65 25.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -97.03 -175.56 3.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.542 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.9 t -89.88 140.94 27.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -74.99 132.33 27.22 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.994 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.461 ' N ' ' HA ' ' A' ' 36' ' ' THR . 15.7 m -52.72 147.71 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.538 ' OE1' ' CE2' ' A' ' 59' ' ' TYR . 2.2 mt-30 -107.09 166.03 10.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.4 t -102.67 126.75 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -113.05 76.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.618 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 2.2 m-85 -39.97 124.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.5 mt -104.87 -29.73 10.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.8 134.37 25.59 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -6.64 18.27 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -128.14 53.98 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.7 p -105.01 153.8 20.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 52' ' ' ALA . 16.7 m -45.25 -58.4 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.953 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.699 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -44.12 -60.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.465 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 38.9 t -53.62 -49.8 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.85 -18.76 46.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -76.65 -58.14 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.9 50.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.775 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -118.54 153.54 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -130.36 139.94 50.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -41.42 125.45 2.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.1 24.73 5.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.817 ' HB3' HG21 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -87.51 122.53 31.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.538 ' CE2' ' OE1' ' A' ' 39' ' ' GLN . 7.4 m-85 -100.13 96.96 7.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.493 HG21 HD11 ' A' ' 63' ' ' ILE . 57.2 mt -48.65 96.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.595 HG23 ' HG3' ' A' ' 69' ' ' LYS . 3.1 p -87.39 -28.31 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 36.3 m -168.77 155.24 6.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.493 HD11 HG21 ' A' ' 60' ' ' ILE . 48.7 mt -132.5 118.25 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 73.82 -57.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.38 37.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 62' ' ' SER . 64.6 t -124.64 146.34 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.86 115.73 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.7 m -122.3 45.49 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.595 ' HG3' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -101.97 -14.64 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -114.33 -43.68 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.426 ' CD1' HD13 ' A' ' 79' ' ' LEU . 19.3 mt -40.31 151.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.412 HG23 ' OE1' ' A' ' 75' ' ' GLU . 26.2 p -94.74 -158.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.438 ' HA ' HG11 ' A' ' 38' ' ' VAL . 33.5 t -73.59 -46.77 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.6 t -58.33 -61.68 2.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.412 ' OE1' HG23 ' A' ' 72' ' ' THR . 0.4 OUTLIER -40.75 -69.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' LEU . 72.0 t -44.33 -58.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -38.42 -43.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -73.57 -44.45 57.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.471 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -56.61 -25.86 54.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HG ' HD13 ' A' ' 63' ' ' ILE . 6.0 mt -86.54 -46.65 9.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -53.73 -50.1 66.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 t -45.01 -47.56 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.691 ' HB3' HG11 ' A' ' 88' ' ' VAL . 28.8 m-85 -88.69 40.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.46 124.04 9.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.16 35.89 84.2 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.866 ' O ' HG13 ' A' ' 88' ' ' VAL . 6.6 mt-10 -141.0 122.09 14.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.99 115.29 1.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 86' ' ' GLU . 11.3 m -124.76 164.88 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.11 104.07 12.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.444 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 30.6 ttp -91.54 137.18 32.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -123.23 133.36 54.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.817 HG21 ' HB3' ' A' ' 58' ' ' ASP . 29.4 m -136.24 146.09 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.44 HG12 ' C ' ' A' ' 15' ' ' PRO . 2.4 m -118.07 143.38 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.28 138.56 31.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.929 ' C ' HD13 ' A' ' 96' ' ' LEU . 28.9 tp -90.49 131.17 36.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.929 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -125.81 148.03 49.25 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -79.54 179.45 1.82 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.043 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 147.4 33.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.814 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -75.0 146.31 32.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.565 ' HG3' HG22 ' A' ' 92' ' ' VAL . 1.8 ptp180 -109.07 130.13 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.82 99.45 2.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.544 HD13 ' HB2' ' A' ' 54' ' ' ALA . 3.6 mt -89.15 150.77 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -134.12 110.31 9.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.577 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.688 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 24.0 p90 -157.07 172.82 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.75 108.06 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.4 HG13 HD21 ' A' ' 28' ' ' LEU . 55.6 t -42.92 154.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -114.78 101.27 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -79.57 51.94 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.03 -39.88 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -151.42 77.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 28' ' ' LEU . 17.9 mt -46.27 -35.59 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.1 -36.13 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -121.42 179.2 4.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -136.52 176.72 8.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.521 ' N ' ' OG1' ' A' ' 31' ' ' THR . 89.1 mt -119.46 128.19 53.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.31 159.87 33.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.19 -167.63 33.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.84 -73.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.551 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 2.6 t -174.4 140.78 0.74 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -74.98 132.25 26.94 Favored 'Cis proline' 0 C--N 1.359 1.103 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.007 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.461 ' N ' ' HA ' ' A' ' 36' ' ' THR . 16.2 m -55.22 144.98 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.464 ' HG3' ' CD2' ' A' ' 59' ' ' TYR . 2.4 mt-30 -99.92 -174.11 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 58' ' ' ASP . 20.5 t -120.77 117.58 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -105.89 94.88 5.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.553 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 4.4 m-85 -63.37 118.83 8.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.3 mt -108.37 -24.1 11.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -130.08 133.67 25.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -28.07 9.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 47' ' ' CYS . 1.3 m80 -99.56 27.08 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 109.597 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.416 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.6 p -61.32 -119.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -149.99 -46.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.039 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.623 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -60.97 -48.51 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.55 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.8 t -59.71 -47.05 87.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 47' ' ' CYS . 42.2 mt -57.88 -25.67 61.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.688 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -67.55 -59.65 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 148.3 44.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.591 ' HB1' ' OD2' ' A' ' 58' ' ' ASP . . . -105.35 -168.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.751 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 5.2 mtmm -144.46 -171.34 3.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -92.83 113.52 25.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.589 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 116.0 4.1 19.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.591 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 3.4 m-20 -50.85 113.01 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.271 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 88.0 m-85 -88.82 97.31 11.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 111.058 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.569 HG21 HD11 ' A' ' 63' ' ' ILE . 2.9 mt -50.7 95.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.478 HG23 ' HG3' ' A' ' 69' ' ' LYS . 2.9 p -87.61 -27.93 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 68.2 m -161.35 167.95 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.803 ' H ' HG12 ' A' ' 66' ' ' VAL . 47.1 mt -150.23 108.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.18 2.76 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.04 14.3 12.27 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.803 HG12 ' H ' ' A' ' 63' ' ' ILE . 4.3 p -86.59 -178.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.745 ' H ' HG22 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -114.32 94.99 5.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.463 ' SG ' HD12 ' A' ' 71' ' ' LEU . 48.4 m -108.47 38.44 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.262 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.478 ' HG3' HG23 ' A' ' 61' ' ' VAL . 1.4 ttmt -96.56 -17.72 20.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -113.59 -40.41 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.463 HD12 ' SG ' ' A' ' 68' ' ' CYS . 14.6 mt -40.71 152.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.4 p -94.05 -144.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.9 t -88.86 -46.53 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -61.24 -52.65 63.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.46 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 79' ' ' LEU . 78.8 t -42.45 -57.35 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 76' ' ' VAL . 1.7 mmt -37.3 -48.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -45.45 72.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.779 ' CD2' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -53.54 -30.69 43.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mt -83.23 -45.18 14.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -56.82 -49.93 73.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -47.69 -35.81 10.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.712 ' HB3' HG11 ' A' ' 88' ' ' VAL . 21.9 m-85 -100.12 39.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.02 128.5 11.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.32 28.76 73.93 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.706 ' O ' HG13 ' A' ' 88' ' ' VAL . 7.1 mt-10 -134.01 122.95 23.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.17 116.31 3.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.712 HG11 ' HB3' ' A' ' 83' ' ' PHE . 16.4 m -125.56 165.76 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -110.63 100.76 9.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.445 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 32.1 ttp -91.65 131.44 37.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.72 136.57 50.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.565 HG22 ' HG3' ' A' ' 17' ' ' ARG . 27.3 m -138.48 140.89 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.403 HG22 ' HB ' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -118.17 143.34 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.61 137.13 33.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.491 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -73.34 104.66 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 14' ' ' SER . 2.9 mp . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.441 ' CZ2' ' HG ' ' A' ' 95' ' ' LEU . 39.9 m95 -113.22 128.25 56.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 107.993 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.552 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.8 OUTLIER -64.1 -178.75 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -75.02 147.27 33.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.427 ' HA ' HG13 ' A' ' 93' ' ' VAL . 18.4 Cg_endo -74.92 141.72 27.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.523 1.801 . . . . 0.0 111.038 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.55 ' HD2' HD11 ' A' ' 19' ' ' ILE . 11.8 ptp180 -91.7 155.85 18.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.15 105.95 2.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.55 HD11 ' HD2' ' A' ' 17' ' ' ARG . 9.1 mt -100.26 152.34 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.52 111.27 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.789 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 28.1 p90 -154.65 175.91 13.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.499 HG23 ' HA2' ' A' ' 85' ' ' GLY . 1.4 m -113.13 123.3 49.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.759 HG12 ' H ' ' A' ' 25' ' ' GLU . 91.8 t -63.24 128.9 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mp0 -81.33 -3.74 53.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.759 ' H ' HG12 ' A' ' 23' ' ' VAL . 2.0 pt-20 30.46 56.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.8 45.57 0.3 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 0.6 OUTLIER 173.31 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.2 mt -79.76 137.23 36.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.423 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -90.6 35.07 3.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -170.35 172.77 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.564 HG22 HD11 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -136.55 177.36 7.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.959 ' HB2' HG13 ' A' ' 73' ' ' VAL . 79.1 mt -116.87 131.85 56.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -137.94 152.29 48.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.52 -177.04 38.83 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -85.9 -86.04 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.757 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.538 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.6 t -166.67 139.19 3.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.98 133.06 29.71 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.013 -0.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.503 HG23 HD12 ' A' ' 60' ' ' ILE . 28.8 m -56.67 153.65 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -100.68 175.3 5.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.9 t -116.21 105.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' PHE . 38.5 t60 -97.11 68.99 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.571 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.712 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 1.2 m-85 -37.09 140.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.564 HD11 HG22 ' A' ' 31' ' ' THR . 40.3 mt -115.22 -41.18 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.91 123.8 28.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.09 9.33 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -126.6 55.16 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.423 ' CB ' ' HA3' ' A' ' 29' ' ' GLY . 25.4 p -122.05 159.7 26.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 108.353 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -45.74 -63.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.96 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.777 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -39.6 -66.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 t -51.63 -50.37 60.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.958 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.4 mt -57.16 -21.71 34.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.789 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -67.91 -52.46 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.28 42.99 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.716 ' HB1' ' OD2' ' A' ' 58' ' ' ASP . . . -96.75 -165.46 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.29 156.35 16.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.24 120.48 14.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.613 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 115.11 1.69 22.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.716 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 90.8 m-20 -61.9 130.87 47.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.613 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 54.1 m-85 -104.82 97.17 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.514 HG22 ' HB3' ' A' ' 68' ' ' CYS . 26.6 mt -48.3 99.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.477 HG23 ' HG3' ' A' ' 69' ' ' LYS . 2.0 p -88.83 -43.32 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 3.0 m -152.75 165.0 36.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.479 HD13 ' HG ' ' A' ' 80' ' ' LEU . 55.3 mt -143.89 114.1 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 71.66 5.61 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.22 12.68 24.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 62' ' ' SER . 23.7 t -103.41 134.0 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.34 122.89 15.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.514 ' HB3' HG22 ' A' ' 60' ' ' ILE . 14.4 m -127.38 5.13 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 108.338 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.477 ' HG3' HG23 ' A' ' 61' ' ' VAL . 1.2 ttmt -82.05 -9.76 59.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -108.71 -34.49 6.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 108.019 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.62 165.04 3.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.5 p -97.17 -146.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.959 HG13 ' HB2' ' A' ' 32' ' ' LEU . 39.5 t -90.31 -35.26 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.68 -57.89 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -43.28 -52.87 5.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' LEU . 79.2 t -58.71 -57.23 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.497 ' HG2' HD12 ' A' ' 32' ' ' LEU . 2.5 mmt -41.53 -37.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.44 -43.33 56.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -61.31 -26.36 67.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.479 ' HG ' HD13 ' A' ' 63' ' ' ILE . 4.8 mt -84.5 -45.37 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -62.05 -47.03 86.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -47.04 -31.72 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 19.5 m-85 -100.02 40.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.441 ' CA ' ' HB3' ' A' ' 25' ' ' GLU . . . -62.82 117.74 12.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.499 ' HA2' HG23 ' A' ' 22' ' ' THR . . . 52.38 44.8 58.74 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' GLU . 32.8 mt-10 -122.54 -4.26 8.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 86' ' ' GLU . 3.7 tt0 58.51 116.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 2.6 m -135.69 178.75 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 19' ' ' ILE . 3.3 mt-10 -121.67 107.25 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.237 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.533 ' HE2' ' HB3' ' A' ' 90' ' ' MET . 8.0 ttp -91.38 131.05 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.35 135.62 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.666 HG11 ' HB3' ' A' ' 58' ' ' ASP . 30.1 m -138.24 144.05 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.427 HG13 ' HA ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -121.27 140.77 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.11 135.06 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.598 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -73.21 112.65 9.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CH2' ' HG ' ' A' ' 95' ' ' LEU . 39.8 m95 -123.92 142.54 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.503 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -74.52 177.98 1.94 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.503 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.94 148.46 35.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.0 148.7 35.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.718 ' HG3' HG22 ' A' ' 92' ' ' VAL . 1.6 ptp85 -112.59 130.84 55.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.21 103.48 2.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.773 HD13 ' HB2' ' A' ' 54' ' ' ALA . 9.7 mt -92.29 151.09 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -135.02 110.37 9.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 34.0 p90 -157.07 176.5 12.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -116.78 107.99 15.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.577 HG13 HD21 ' A' ' 28' ' ' LEU . 66.5 t -42.19 145.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -105.5 96.16 6.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.76 53.87 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.3 -37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -149.52 79.06 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.577 HD21 HG13 ' A' ' 23' ' ' VAL . 11.8 mt -54.04 -38.81 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 86.1 3.21 85.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -162.4 160.72 26.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -124.39 176.77 6.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.591 ' HB2' HG13 ' A' ' 73' ' ' VAL . 83.0 mt -118.77 136.85 53.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.485 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 27.0 mtp85 -86.85 152.68 22.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.272 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -73.29 112.86 4.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 1.3 m120 153.3 -176.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.528 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.9 p -153.55 132.79 7.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -74.97 130.65 21.82 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.006 -0.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 29.0 m -47.13 160.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 57' ' ' GLY . 29.2 mt-30 -117.1 164.09 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.5 t -101.1 117.86 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -103.7 63.85 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.464 ' HE1' ' HB3' ' A' ' 49' ' ' ALA . 2.7 m-85 -39.55 133.13 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.6 mt -111.28 -35.34 5.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.21 123.08 24.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.06 8.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -132.34 40.16 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 48' ' ' SER . 11.9 p -90.09 -48.56 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.571 ' HA ' HD12 ' A' ' 51' ' ' LEU . 1.0 OUTLIER 158.32 -67.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.464 ' HB3' ' HE1' ' A' ' 42' ' ' PHE . . . -40.41 -45.53 2.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -45.63 91.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 48' ' ' SER . 1.3 mt -66.26 -28.97 69.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -63.07 -60.71 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.83 43.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.773 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -119.65 171.75 8.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -139.31 -178.04 5.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -83.43 148.02 27.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.584 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 79.46 -1.16 78.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -51.96 134.12 32.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 20.0 m-85 -105.36 99.63 9.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' CYS . 2.7 mt -60.73 131.56 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 68' ' ' CYS . 4.1 m -112.08 -37.55 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.6 m -149.97 155.46 40.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.719 HD13 ' HG ' ' A' ' 80' ' ' LEU . 50.1 mt -133.08 99.54 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER 77.25 -1.85 2.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.71 -29.48 3.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.836 HG21 HD11 ' A' ' 79' ' ' LEU . 4.4 p -50.37 177.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.648 ' H ' HG22 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -113.55 101.01 8.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' VAL . 62.9 m -113.29 54.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.03 -27.76 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.473 ' O ' HG21 ' A' ' 36' ' ' THR . 39.8 m95 -112.6 -36.41 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.426 HD22 ' CD ' ' A' ' 75' ' ' GLU . 25.2 mt -39.78 152.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.64 ' O ' HG23 ' A' ' 76' ' ' VAL . 27.5 p -91.83 -159.93 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.591 HG13 ' HB2' ' A' ' 32' ' ' LEU . 6.7 t -74.34 -48.17 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 t -55.57 -64.06 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.426 ' CD ' HD22 ' A' ' 71' ' ' LEU . 2.2 mt-10 -42.11 -58.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 72' ' ' THR . 66.1 t -56.65 -51.25 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.5 mmt -49.35 -46.52 47.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -39.01 70.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.836 HD11 HG21 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -61.5 -34.41 75.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.719 ' HG ' HD13 ' A' ' 63' ' ' ILE . 3.2 mt -83.45 -46.7 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -52.12 -52.43 51.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.2 t -45.86 -39.7 8.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.98 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.445 ' HB3' HG11 ' A' ' 88' ' ' VAL . 20.5 m-85 -88.75 34.57 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -67.84 125.28 22.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.76 25.34 75.21 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.682 ' O ' HG13 ' A' ' 88' ' ' VAL . 8.1 mt-10 -130.55 123.66 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.01 124.68 21.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 86' ' ' GLU . 3.0 m -130.88 179.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -123.36 101.19 7.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.445 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 30.4 ttp -91.96 138.62 31.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.4 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -117.29 128.31 54.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.718 HG22 ' HG3' ' A' ' 17' ' ' ARG . 16.9 m -128.5 148.91 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.92 160.4 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.06 148.61 24.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.559 ' HG ' ' CH2' ' A' ' 13' ' ' TRP . 0.7 OUTLIER -97.74 112.8 24.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.567 HD22 ' N ' ' A' ' 96' ' ' LEU . 2.0 mm? . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -167.46 168.8 12.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.008 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.62 -58.14 1.7 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 109.968 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.08 -178.24 32.71 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -165.63 142.7 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 0.727 . . . . 0.0 110.053 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.56 156.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.986 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.7 75.59 1.96 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.0 m -74.71 113.31 11.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.47 107.23 4.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.12 150.45 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.94 160.22 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 126.26 19.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.272 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.453 ' CZ2' HD13 ' A' ' 95' ' ' LEU . 36.4 m95 -106.05 149.65 26.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.015 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.488 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -76.81 177.31 2.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.016 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.96 150.25 38.07 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.523 1.802 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.4 Cg_endo -75.0 132.94 15.99 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.515 1.798 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -88.62 167.67 13.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.46 102.9 0.99 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.867 HD13 ' HB2' ' A' ' 54' ' ' ALA . 7.4 mt -96.89 154.16 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -140.39 110.45 6.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.572 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 33.3 p90 -157.13 177.41 11.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -118.25 108.06 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.416 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG22 HD22 ' A' ' 80' ' ' LEU . 38.5 t -40.65 159.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 6.6 mm-40 -127.9 105.22 8.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -79.86 53.94 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.46 -40.96 0.03 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -153.09 89.19 1.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 0.736 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD21 HG13 ' A' ' 23' ' ' VAL . 66.2 mt -64.67 -28.65 69.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 82.54 -2.54 85.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -149.17 171.73 15.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 0.786 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -135.49 176.69 8.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.365 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.593 ' HB2' HG13 ' A' ' 73' ' ' VAL . 57.4 mt -125.08 119.56 28.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -117.27 165.45 13.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.64 -161.87 31.26 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.4 OUTLIER -109.98 -69.56 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.56 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.1 t -174.96 140.4 0.65 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -74.98 131.94 25.89 Favored 'Cis proline' 0 C--N 1.361 1.198 0 C-N-CA 121.024 -2.49 . . . . 0.0 110.995 -0.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.469 ' N ' ' HA ' ' A' ' 36' ' ' THR . 20.7 m -50.55 150.69 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.595 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 20.4 mt-30 -115.43 167.71 10.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.9 t -100.75 113.6 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -103.56 65.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.605 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 3.8 m-85 -40.35 123.55 1.78 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 43' ' ' LEU . 18.6 mt -107.14 -28.53 9.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.07 134.13 25.63 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -31.29 6.33 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 54.3 m170 -93.56 26.36 3.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.589 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.731 ' O ' HD12 ' A' ' 51' ' ' LEU . 7.9 p -63.2 -123.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.278 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -142.61 -58.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.988 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.649 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -49.94 -49.36 50.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.533 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 4.8 t -58.78 -52.01 67.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 47' ' ' CYS . 29.4 mt -53.44 -29.46 35.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -63.42 -58.86 5.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.26 44.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.135 . . . . 0.0 111.041 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.867 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -111.29 -172.8 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.781 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -144.31 -171.59 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.62 163.21 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.456 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 57.64 15.93 20.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -68.49 120.45 14.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 0.737 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.595 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 71.4 m-85 -93.34 107.3 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 4.7 mt -63.77 135.97 26.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 91' ' ' LYS . 5.3 m -113.5 -36.18 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 34.8 m -154.58 157.83 38.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.45 HD13 ' HG ' ' A' ' 80' ' ' LEU . 92.5 mt -136.31 102.4 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 74.61 8.12 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.25 -21.87 9.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.949 HG11 HD21 ' A' ' 79' ' ' LEU . 75.3 t -63.82 154.9 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.75 120.34 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 56.7 m -133.38 53.09 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 108.32 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.45 -32.38 6.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -102.24 -35.85 8.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 107.995 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.429 ' CD1' HD13 ' A' ' 79' ' ' LEU . 14.2 mt -42.32 154.92 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.5 p -98.05 -147.28 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.593 HG13 ' HB2' ' A' ' 32' ' ' LEU . 50.5 t -85.4 -48.93 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 t -55.77 -53.91 50.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.78 -68.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 79' ' ' LEU . 56.0 t -44.45 -59.38 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 2.4 mmt -39.03 -45.18 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -72.61 -41.91 65.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.949 HD21 HG11 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -60.75 -26.17 67.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD22 HG22 ' A' ' 23' ' ' VAL . 5.0 mt -87.18 -46.9 9.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -54.34 -50.49 67.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 7.5 t -45.12 -45.02 10.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.624 ' HB3' HG11 ' A' ' 88' ' ' VAL . 26.9 m-85 -88.95 44.44 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -76.48 129.36 9.9 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.34 30.02 75.9 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.698 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.2 mt-10 -135.31 123.84 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -59.78 110.46 1.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 86' ' ' GLU . 13.3 m -115.15 171.7 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -119.11 103.67 9.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.443 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 27.1 ttp -92.1 138.04 31.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.497 ' O ' HG22 ' A' ' 61' ' ' VAL . 2.7 mptt -119.71 128.73 54.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 18.6 m -128.39 154.61 39.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.446 HG22 HG13 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -130.69 143.26 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.6 m -85.33 144.12 28.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.453 HD13 ' CZ2' ' A' ' 13' ' ' TRP . 35.2 tp -99.07 128.24 45.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -113.58 127.53 56.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -166.07 152.46 9.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 m -48.92 165.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.99 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.1 t -155.46 156.93 36.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.9 146.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 90.4 p -171.3 151.94 3.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.89 146.01 46.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.447 ' CD2' ' H ' ' A' ' 104' ' ' ASN . 4.1 t60 -145.0 172.77 12.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.613 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.447 ' H ' ' CD2' ' A' ' 103' ' ' HIS . 19.3 m-20 -79.52 159.24 26.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.09 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.66 173.86 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.0 p -126.17 161.04 28.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.962 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -106.69 148.33 16.39 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.482 1.113 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -176.46 2.89 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 110.982 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.3 p -121.61 164.66 16.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.3 p -99.89 166.49 11.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.981 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.924 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 p -140.32 117.91 11.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.432 0.725 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 p -169.48 154.22 5.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.979 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.17 175.18 30.87 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -152.65 160.69 43.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.23 114.78 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.976 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.46 103.72 2.98 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.76 135.73 36.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 110.001 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 61.68 171.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 m 61.33 156.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.004 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -48.68 144.89 4.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -90.27 136.39 33.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 35.5 m95 -132.42 136.18 46.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 107.964 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -66.03 176.97 0.83 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.02 147.0 33.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.06 137.15 21.22 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 92' ' ' VAL . 9.7 ptp180 -102.25 151.28 22.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.53 109.21 3.8 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.555 HD13 ' HB2' ' A' ' 54' ' ' ALA . 6.1 mt -100.51 152.73 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.76 111.16 7.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.637 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.725 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 33.8 p90 -156.66 174.9 14.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -115.91 112.66 22.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 34.6 t -43.52 164.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.487 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.5 mt-10 -132.65 97.64 4.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.11 54.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -174.84 -38.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.437 1.086 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -156.09 89.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.759 . . . . 0.0 109.296 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.3 mt -66.58 -38.23 86.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.339 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.99 0.53 68.26 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -153.47 173.41 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 0.755 . . . . 0.0 111.041 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.522 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -134.91 176.5 8.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB2' HG13 ' A' ' 73' ' ' VAL . 84.4 mt -119.73 114.04 21.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 mtt-85 -107.86 166.67 10.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.257 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.28 -174.08 54.43 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.2 t30 -95.96 -67.68 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.552 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.2 t -177.78 139.21 0.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.04 131.9 25.77 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.958 -2.517 . . . . 0.0 110.976 0.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.477 ' N ' ' HA ' ' A' ' 36' ' ' THR . 31.7 m -50.1 170.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.53 ' NE2' ' CE2' ' A' ' 59' ' ' TYR . 5.0 mt-30 -125.97 175.21 7.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.5 t -111.18 101.77 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -94.69 72.6 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.621 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.431 ' HE1' ' HB3' ' A' ' 49' ' ' ALA . 3.6 m-85 -49.33 131.11 20.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.2 mt -110.03 -32.26 7.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.05 127.11 26.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -8.94 20.5 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.534 1.807 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -131.87 65.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.555 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.697 ' O ' HD12 ' A' ' 51' ' ' LEU . 1.2 p -108.59 -105.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 108.269 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 m -143.75 -67.45 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.55 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -43.59 -51.77 6.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.55 -58.01 9.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.032 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 47' ' ' CYS . 21.5 mt -46.75 -48.5 20.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.725 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -40.49 -67.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 160.47 42.63 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.555 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -114.13 172.78 6.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 0.776 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -149.96 160.36 43.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -59.13 138.15 57.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.465 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 94.19 18.75 35.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.545 1.153 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.492 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 77.2 m-20 -85.52 127.1 34.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.84 ' CE2' HD12 ' A' ' 95' ' ' LEU . 15.0 m-85 -103.14 102.82 12.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.594 HG21 HD11 ' A' ' 63' ' ' ILE . 2.7 mp -54.59 127.3 13.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 91' ' ' LYS . 7.0 m -113.99 -36.54 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 1.3 p -142.04 169.2 18.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.594 HD11 HG21 ' A' ' 60' ' ' ILE . 18.2 mt -156.1 95.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.325 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.432 ' HG3' HG12 ' A' ' 88' ' ' VAL . 1.4 mm-40 71.22 33.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.46 16.29 71.59 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.698 HG11 HD21 ' A' ' 79' ' ' LEU . 97.6 t -100.75 160.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.421 ' N ' HG12 ' A' ' 66' ' ' VAL . 2.2 t0 -87.06 118.93 26.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.669 ' SG ' HD22 ' A' ' 79' ' ' LEU . 90.0 m -138.89 50.43 1.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 108.319 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.66 -34.32 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -99.44 -32.85 10.94 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.586 ' CD1' HD13 ' A' ' 79' ' ' LEU . 23.9 mt -44.18 154.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 48.0 p -94.59 -155.28 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.375 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.56 HG13 ' HB2' ' A' ' 32' ' ' LEU . 76.0 t -78.62 -46.62 24.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.0 t -59.85 -53.05 62.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.17 -69.1 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 79' ' ' LEU . 48.3 t -43.39 -58.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -39.94 -58.01 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -62.61 -33.32 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.698 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -67.83 -30.46 69.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 76' ' ' VAL . 3.2 mt -84.54 -45.16 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -55.8 -50.63 69.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 t -44.53 -45.19 9.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.516 ' HB3' HG11 ' A' ' 88' ' ' VAL . 18.7 m-85 -89.22 37.83 0.87 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.47 ' HA2' ' CG1' ' A' ' 23' ' ' VAL . . . -70.92 125.97 13.32 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.17 31.39 69.15 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.699 ' O ' HG13 ' A' ' 88' ' ' VAL . 6.5 mt-10 -139.48 121.68 15.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 0.783 . . . . 0.0 110.311 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -56.67 119.91 6.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 86' ' ' GLU . 18.0 m -126.15 164.41 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -110.37 98.63 7.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.514 ' HE2' ' HB3' ' A' ' 90' ' ' MET . 22.6 ttp -93.45 132.92 37.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.638 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -108.93 131.63 54.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 17' ' ' ARG . 23.9 m -126.26 155.46 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.18 161.79 37.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.1 m -103.76 142.23 34.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.009 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.84 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.5 OUTLIER -93.68 117.68 30.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 96' ' ' LEU . 1.6 mm? -89.84 -165.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -155.55 158.05 37.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -67.44 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.014 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 63.4 m -40.45 151.24 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.86 167.75 20.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 61.81 127.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.95 -44.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.4 145.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.574 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.11 121.46 29.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.342 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.37 125.37 33.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -167.16 119.57 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.02 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -154.41 149.62 21.02 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 166.01 30.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.45 1.763 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.27 116.83 9.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.42 142.06 18.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.544 1.152 . . . . 0.0 110.964 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.8 p -159.22 105.81 1.73 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 0.745 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -100.04 98.84 9.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.023 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.63 -168.67 12.3 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.98 106.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 0.751 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -139.39 -58.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 110.038 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.81 139.37 6.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.7 m -40.3 124.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 0.783 . . . . 0.0 109.966 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.5 170.44 9.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.81 118.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.999 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -49.06 161.15 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -105.59 105.72 15.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.567 ' CZ3' ' HG ' ' A' ' 95' ' ' LEU . 68.2 m95 -105.9 152.09 23.72 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.64 172.4 9.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.013 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 18.2 Cg_endo -75.01 148.99 36.0 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.4 Cg_endo -74.96 132.27 15.29 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.547 1.814 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HD2' HD11 ' A' ' 19' ' ' ILE . 8.9 ptp180 -95.48 169.35 10.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.32 105.25 1.52 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.676 HD13 ' HB2' ' A' ' 54' ' ' ALA . 11.0 mt -100.24 151.47 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 0.765 . . . . 0.0 109.275 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -137.48 110.74 7.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.567 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.45 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 32.9 p90 -156.87 172.36 18.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -111.4 127.03 55.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.601 ' CG2' HD22 ' A' ' 80' ' ' LEU . 25.1 t -68.37 164.26 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.478 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 3.7 mt-10 -128.95 87.83 2.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.24 60.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -172.8 -38.6 0.04 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -162.45 94.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.481 HD21 HG13 ' A' ' 23' ' ' VAL . 80.1 mt -71.37 146.0 49.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -87.45 12.71 62.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.468 1.105 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -160.98 153.91 21.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.515 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -113.8 176.76 4.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.444 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.562 HD12 ' HG2' ' A' ' 77' ' ' MET . 11.0 mt -129.35 150.02 50.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 ppt_? -146.51 165.58 29.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.288 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.48 -169.86 38.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -101.35 -67.91 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.554 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.7 t -178.5 139.81 0.38 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 132.0 26.1 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.028 -2.488 . . . . 0.0 111.011 -0.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' N ' ' HA ' ' A' ' 36' ' ' THR . 17.3 m -49.52 146.75 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.608 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 63.4 mt-30 -112.48 133.51 54.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -69.84 117.03 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 36.6 t60 -106.62 77.78 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.604 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 1.5 m-85 -39.11 120.73 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.929 ' O ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -114.94 -34.5 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.72 132.46 23.16 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -43.54 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.464 1.77 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -90.55 36.13 0.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 109.578 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.625 ' O ' HD12 ' A' ' 51' ' ' LEU . 10.3 p -70.97 -125.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 108.335 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 54.5 p -138.88 -57.83 0.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.0 -40.5 44.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.554 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 7.0 t -67.62 -41.21 84.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.056 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 47' ' ' CYS . 29.1 mt -69.12 -17.79 63.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.45 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -80.75 -55.08 5.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.416 ' O ' ' NH1' ' A' ' 17' ' ' ARG . . . 145.47 45.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.676 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -105.94 165.39 11.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 0.739 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -122.54 -175.15 3.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.83 147.59 23.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.573 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 73.07 15.42 78.58 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -64.33 127.4 31.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.608 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 44.1 m-85 -99.12 107.48 19.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.58 HG21 HD11 ' A' ' 63' ' ' ILE . 23.6 mt -60.43 129.29 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 91' ' ' LYS . 8.3 m -113.33 -33.34 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.479 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 1.7 p -145.45 168.55 20.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.032 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.58 HD11 HG21 ' A' ' 60' ' ' ILE . 14.0 mt -155.68 94.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 70.4 33.88 2.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 110.353 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.31 27.39 48.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.12 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.589 HG11 HD21 ' A' ' 79' ' ' LEU . 98.7 t -112.03 162.83 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 0.767 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.463 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.7 OUTLIER -89.99 118.88 29.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.432 ' SG ' HD12 ' A' ' 71' ' ' LEU . 59.9 m -138.87 50.81 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 108.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.88 -34.37 6.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 24.1 m95 -101.56 -23.16 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 107.974 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.432 HD12 ' SG ' ' A' ' 68' ' ' CYS . 13.4 mt -54.25 158.11 2.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 5.9 p -103.0 -159.06 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.457 ' HA ' HG11 ' A' ' 38' ' ' VAL . 85.4 t -72.27 -52.09 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.32 -59.39 4.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.87 -71.43 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' LEU . 48.6 t -40.84 -62.01 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.155 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.562 ' HG2' HD12 ' A' ' 32' ' ' LEU . 1.9 mmt -37.67 -56.21 1.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 111.036 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -63.05 -39.69 95.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.589 HD21 HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -60.45 -31.84 70.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.601 HD22 ' CG2' ' A' ' 23' ' ' VAL . 5.6 mt -83.72 -46.32 12.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' GLY . 6.5 mttm -51.65 -51.79 53.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.1 t -43.23 -43.21 4.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.534 ' HB3' HG11 ' A' ' 88' ' ' VAL . 21.4 m-85 -90.94 39.79 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -72.73 128.24 12.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.531 1.144 . . . . 0.0 111.056 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.16 18.84 78.22 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.613 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.7 mt-10 -130.2 124.21 32.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 3.3 tt0 -60.2 122.25 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.123 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 86' ' ' GLU . 12.7 m -124.21 164.97 21.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.03 99.17 8.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.475 ' HE2' ' HB3' ' A' ' 90' ' ' MET . 27.0 ttp -93.64 126.71 38.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.543 ' O ' HG22 ' A' ' 61' ' ' VAL . 5.5 mttt -105.17 133.9 49.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.523 HG22 ' CG ' ' A' ' 17' ' ' ARG . 27.2 m -129.79 153.8 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.433 HG12 ' C ' ' A' ' 15' ' ' PRO . 3.7 m -129.68 141.72 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -86.97 143.81 27.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.578 HD12 ' OH ' ' A' ' 59' ' ' TYR . 1.6 mt -88.93 131.6 35.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.02 120.09 38.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -158.01 26.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.4 m -53.37 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.1 t -174.37 143.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.0 t -82.03 164.48 21.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 89.9 p -168.14 165.38 13.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.36 160.98 43.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 110.951 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.73 88.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.632 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -110.52 166.34 11.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -163.08 63.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 86.4 p -56.04 133.64 52.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 176.9 74.47 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.87 34.51 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.767 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.5 m 63.05 160.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.02 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.6 t -100.52 87.14 3.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.018 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.515 1.135 . . . . 0.0 111.025 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.77 -58.69 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 0.742 . . . . 0.0 109.946 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.6 156.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.005 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.45 -68.77 0.55 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 m -109.41 -60.99 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 110.001 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t 64.16 154.94 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.09 132.09 5.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.441 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -116.92 -35.96 3.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.973 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 8' ' ' SER . . . 178.55 116.98 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.8 p -169.8 156.72 6.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -44.47 122.21 2.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 ttm-85 -83.25 146.08 28.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.702 ' CH2' HD11 ' A' ' 95' ' ' LEU . 55.1 m95 -130.29 138.54 50.53 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.521 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -76.24 179.13 1.6 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.521 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 148.07 34.78 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.04 131.33 14.12 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.479 1.778 . . . . 0.0 110.963 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.677 ' HD2' HD11 ' A' ' 19' ' ' ILE . 0.0 OUTLIER -91.33 161.1 15.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.265 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.75 105.68 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.799 HD13 ' HB2' ' A' ' 54' ' ' ALA . 3.5 mt -99.75 151.68 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.49 111.13 6.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.588 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.475 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 35.9 p90 -156.82 176.98 12.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.13 113.41 24.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.529 HG22 HD22 ' A' ' 80' ' ' LEU . 24.7 t -47.37 165.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.564 ' HB2' HD23 ' A' ' 28' ' ' LEU . 2.5 mt-10 -129.27 81.81 2.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.158 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.21 61.82 0.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -175.95 -38.26 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -159.09 105.97 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.242 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.564 HD23 ' HB2' ' A' ' 24' ' ' GLU . 98.2 mt -94.05 145.02 24.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.57 26.71 14.63 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -171.22 165.95 7.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 111.044 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -132.96 176.92 8.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.729 ' HB2' HG13 ' A' ' 73' ' ' VAL . 33.6 mt -118.97 116.92 27.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -114.58 154.37 28.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.96 -162.85 25.34 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.434 ' N ' ' OD1' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -107.32 -69.71 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 109.287 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.557 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -175.61 139.94 0.58 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.02 132.31 27.16 Favored 'Cis proline' 0 C--N 1.361 1.193 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.967 0.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.515 HG23 HD12 ' A' ' 60' ' ' ILE . 33.8 m -52.58 164.17 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.521 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 12.3 mt-30 -119.7 -174.03 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.09 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -124.62 108.88 21.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' PHE . 27.2 t60 -103.85 78.13 1.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 5.1 m-85 -37.14 137.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.049 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.8 mt -111.45 -31.05 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -132.73 140.67 38.46 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -38.82 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.77 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -92.35 30.73 1.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.58 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.44 ' SG ' ' CB ' ' A' ' 50' ' ' SER . 32.1 p -69.28 -139.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -117.96 -71.74 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 110.006 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -39.5 -58.36 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.561 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 8.5 t -47.29 -42.03 20.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -66.19 -36.87 84.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -56.89 -61.95 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 155.77 43.99 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.799 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -113.55 152.75 29.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -115.86 -173.85 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.6 142.03 28.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.602 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 83.33 20.49 60.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 46.4 m-20 -76.03 129.32 36.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 0.785 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.602 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 27.6 m-85 -104.5 104.88 14.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.515 HD12 HG23 ' A' ' 38' ' ' VAL . 3.3 mt -57.84 130.31 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.444 HG13 HG22 ' A' ' 93' ' ' VAL . 15.3 m -111.64 -32.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 57.2 m -156.44 162.81 39.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.486 HD11 HG21 ' A' ' 60' ' ' ILE . 23.9 mt -146.04 104.09 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 70.51 29.29 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 90.36 -0.36 77.84 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.821 HG11 HD21 ' A' ' 79' ' ' LEU . 63.8 t -83.21 152.12 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.9 118.13 23.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 96.7 m -135.07 50.05 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.9 -32.53 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -104.3 -33.14 8.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 107.992 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 11.8 mt -42.95 148.51 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.431 HG23 ' OE1' ' A' ' 75' ' ' GLU . 68.7 p -88.92 -157.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.414 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.729 HG13 ' HB2' ' A' ' 32' ' ' LEU . 51.0 t -80.27 -41.1 20.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.5 t -64.66 -48.62 74.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.988 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.431 ' OE1' HG23 ' A' ' 72' ' ' THR . 1.9 mt-10 -53.68 -65.24 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' LEU . 55.2 t -48.29 -52.84 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.59 ' HG2' HD12 ' A' ' 32' ' ' LEU . 4.0 mmt -47.05 -42.56 18.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -75.26 -24.79 57.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.821 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -78.47 -27.4 46.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.529 HD22 HG22 ' A' ' 23' ' ' VAL . 6.5 mt -87.05 -47.51 8.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -53.42 -50.88 64.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -46.13 -44.27 15.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.605 ' HB3' HG11 ' A' ' 88' ' ' VAL . 13.5 m-30 -88.97 38.15 0.87 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.33 128.24 15.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.42 27.03 73.49 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.712 ' O ' HG13 ' A' ' 88' ' ' VAL . 4.9 mt-10 -133.27 123.29 25.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -59.03 116.38 3.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.312 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 86' ' ' GLU . 10.6 m -122.3 174.2 7.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -123.74 98.88 6.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.518 ' SD ' HG13 ' A' ' 92' ' ' VAL . 0.6 OUTLIER -92.24 142.16 27.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.972 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 4.9 mptt -116.18 134.96 54.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.518 HG13 ' SD ' ' A' ' 90' ' ' MET . 23.5 m -133.76 147.54 30.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.444 HG22 HG13 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -121.61 149.79 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 m -92.67 142.45 27.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.003 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.702 HD11 ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -96.54 128.45 43.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.3 OUTLIER -106.5 -167.71 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.03 24.87 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.7 t 46.57 -151.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.3 t -123.13 152.74 40.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 110.409 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.51 148.69 52.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.997 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.8 104.07 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 109.958 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.8 102.41 10.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.965 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -166.21 155.02 11.1 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.123 . . . . 0.0 109.639 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -139.46 -54.45 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 34.6 tttt 64.37 122.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.72 94.73 3.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.971 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -129.54 97.28 0.4 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -48.83 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.4 m 63.5 164.43 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 p -113.76 113.85 25.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -94.35 163.91 13.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 0.744 . . . . 0.0 109.977 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.78 148.12 48.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.986 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.76 151.07 21.74 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -163.68 155.04 16.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 110.03 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.71 142.14 23.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.989 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.38 94.44 0.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.1 p -127.21 139.05 53.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.796 . . . . 0.0 109.972 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -100.25 103.12 14.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 11' ' ' LYS . 12.4 t -153.64 92.69 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 10' ' ' SER . 3.0 mttt 37.91 -156.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -123.74 128.59 49.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.689 ' CH2' ' CD1' ' A' ' 95' ' ' LEU . 37.5 m95 -129.1 128.78 44.2 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.53 1.144 . . . . 0.0 108.045 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.523 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -60.93 179.07 0.24 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.034 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.523 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.01 147.61 34.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.542 1.812 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.539 ' HA ' HG13 ' A' ' 93' ' ' VAL . 18.3 Cg_endo -75.01 138.12 22.58 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.452 1.764 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.536 ' CG ' HG22 ' A' ' 92' ' ' VAL . 10.3 ptm180 -99.01 161.25 13.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.32 112.46 3.86 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.715 HD13 ' HB2' ' A' ' 54' ' ' ALA . 9.8 mt -103.19 153.72 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.21 110.47 6.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.604 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.503 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 28.2 p90 -156.94 172.01 19.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -111.68 114.0 26.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.439 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 33.8 t -51.31 164.76 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.48 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 2.3 mt-10 -130.3 85.69 2.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.47 59.73 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.34 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -170.81 -39.92 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.464 1.103 . . . . 0.0 111.037 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -157.94 102.95 1.84 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 0.759 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -85.33 146.23 27.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.94 24.36 26.84 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -170.83 168.08 7.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.564 0.802 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.548 HG22 HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -133.44 176.71 8.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.705 ' HB2' HG13 ' A' ' 73' ' ' VAL . 73.5 mt -123.5 123.59 40.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.75 155.37 39.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.8 -164.81 20.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.541 1.15 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -103.3 -67.49 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.747 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.563 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER 178.8 141.16 0.28 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.378 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -75.0 132.54 27.92 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 121.036 -2.485 . . . . 0.0 111.033 -0.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.463 ' N ' ' HA ' ' A' ' 36' ' ' THR . 22.3 m -55.52 149.42 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.555 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 58.8 mt-30 -106.16 -174.15 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 58' ' ' ASP . 94.8 t -123.13 109.98 25.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -99.88 71.51 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.641 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.498 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 3.3 m-85 -37.54 134.85 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.548 HD11 HG22 ' A' ' 31' ' ' THR . 58.5 mt -111.37 -39.03 4.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -116.0 137.01 23.06 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.241 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -35.28 3.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 110.967 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.417 ' O ' ' O ' ' A' ' 47' ' ' CYS . 24.4 m80 -98.36 30.66 3.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.596 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.482 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.0 p -61.4 -118.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.1 m -147.73 -46.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.575 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -61.07 -46.82 89.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.498 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.7 t -61.68 -44.41 97.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.019 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 47' ' ' CYS . 44.6 mt -63.64 -19.7 65.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -74.55 -58.55 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.484 ' O ' ' CZ ' ' A' ' 17' ' ' ARG . . . 154.99 44.08 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.715 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -119.59 150.9 39.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.797 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.424 ' N ' ' OD2' ' A' ' 58' ' ' ASP . 13.0 mtmt -114.01 -171.54 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.04 148.37 26.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.539 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 70.92 22.36 78.34 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.548 ' O ' HG23 ' A' ' 40' ' ' VAL . 42.5 m-20 -72.29 123.09 22.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CE2' HD12 ' A' ' 95' ' ' LEU . 49.1 m-85 -96.55 109.14 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.543 HG21 HD11 ' A' ' 63' ' ' ILE . 4.1 mt -62.65 128.52 24.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.6 m -110.37 -33.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.476 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -149.25 171.02 17.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.543 HD11 HG21 ' A' ' 60' ' ' ILE . 19.2 mt -155.66 100.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 71.2 24.09 3.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.33 29.2 22.84 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.023 HG11 HD21 ' A' ' 79' ' ' LEU . 78.7 t -113.74 156.05 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -76.33 117.85 18.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 85.7 m -140.46 46.33 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 108.314 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -110.31 -31.12 7.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -104.99 -32.41 8.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 108.008 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.9 mt -44.3 152.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 p -93.91 -162.47 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 32' ' ' LEU . 39.3 t -72.49 -43.81 62.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.9 t -60.21 -57.76 11.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.36 -71.24 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 79' ' ' LEU . 74.7 t -42.29 -56.78 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.9 mmt -43.46 -39.35 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -77.3 -38.67 50.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.023 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -64.78 -24.33 67.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.473 HD22 ' CG2' ' A' ' 23' ' ' VAL . 6.5 mt -87.67 -46.98 9.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -54.7 -50.2 68.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.1 t -47.11 -30.28 2.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.599 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 17.9 m-85 -104.94 38.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.78 129.22 15.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.117 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.12 17.84 74.23 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.525 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.8 mt-10 -126.67 128.93 47.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 3.7 tt0 -64.05 121.47 14.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 83' ' ' PHE . 11.5 m -126.11 169.46 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -114.54 99.98 7.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.468 ' HE2' ' HB3' ' A' ' 90' ' ' MET . 37.2 ttp -92.19 133.85 35.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 7.4 mptt -107.65 136.55 47.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.536 HG22 ' CG ' ' A' ' 17' ' ' ARG . 26.9 m -133.79 162.7 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.539 HG13 ' HA ' ' A' ' 16' ' ' PRO . 0.1 OUTLIER -146.24 173.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -113.72 145.98 40.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.689 ' CD1' ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -89.78 119.76 30.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.08 121.1 44.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.51 155.42 43.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.86 -58.14 3.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.997 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 75.5 m 53.87 103.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.37 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.73 146.41 32.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.8 t -147.43 170.19 17.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.4 ttm -141.13 170.17 16.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -156.37 172.34 18.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.6 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.04 159.23 3.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -137.66 168.8 18.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.0 p -161.25 168.89 23.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -178.36 94.12 0.09 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -179.22 4.78 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 72.6 p -93.81 169.1 10.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.5 p -165.84 168.66 15.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.5 p -99.35 140.58 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 0.786 . . . . 0.0 109.964 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.71 114.42 2.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.38 -151.61 46.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t 44.29 79.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.753 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 m -78.8 105.09 9.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.24 -139.28 5.93 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.94 134.77 52.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 0.729 . . . . 0.0 109.972 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -144.36 156.17 44.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.5 p -72.43 145.09 47.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.013 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.58 141.89 40.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.17 159.21 15.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 33.5 m95 -134.4 136.64 43.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 108.019 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -74.77 179.12 1.43 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.95 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 149.16 36.27 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.3 Cg_endo -75.01 129.65 12.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.548 1.815 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.499 ' HG2' HG23 ' A' ' 92' ' ' VAL . 13.5 ptp180 -92.07 151.64 20.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.39 106.57 3.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.041 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.903 HD13 ' HB2' ' A' ' 54' ' ' ALA . 7.5 mt -95.86 151.63 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -138.1 110.46 7.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.601 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.47 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 34.0 p90 -157.0 177.04 11.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.578 1.174 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -118.14 109.04 15.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 40.5 t -42.91 164.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.468 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.2 mt-10 -133.87 103.86 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.5 52.48 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -168.33 -41.26 0.03 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -152.3 93.51 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.61 -34.78 70.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.405 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 84.74 -1.4 88.88 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -152.55 165.42 35.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 111.047 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.519 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -131.15 176.87 7.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 0.0 110.389 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.519 ' N ' ' OG1' ' A' ' 31' ' ' THR . 66.1 mt -120.09 119.56 33.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -115.36 167.28 11.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.03 178.77 51.73 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -88.42 -74.84 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 0.747 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.537 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -173.65 138.58 0.76 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.03 132.24 26.91 Favored 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 121.023 -2.49 . . . . 0.0 110.983 0.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' N ' ' HA ' ' A' ' 36' ' ' THR . 24.6 m -50.91 173.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 58' ' ' ASP . 6.7 mt-30 -128.09 172.08 11.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.5 t -104.67 103.17 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -95.7 67.74 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.594 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -49.55 138.67 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 77.3 mt -111.7 -42.1 3.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.06 142.14 24.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -20.05 17.35 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -127.4 61.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.63 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.484 ' O ' ' CB ' ' A' ' 48' ' ' SER . 12.3 p -91.71 -48.49 6.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 108.274 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.5 OUTLIER 159.77 -73.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -43.02 -51.78 5.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.3 -38.98 66.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.016 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 48' ' ' SER . 5.8 mt -70.52 -26.97 63.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -67.46 -59.38 3.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.82 43.75 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.903 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -120.38 178.75 4.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -154.72 -175.6 5.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.95 165.68 22.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.545 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 66.43 10.51 53.76 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 68.1 m-20 -76.98 127.26 32.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 37.3 m-85 -100.07 114.66 28.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.0 mt -65.25 131.18 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.7 m -113.45 -38.41 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 48.1 m -160.1 161.23 33.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.4 mt -138.02 118.0 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.9 -57.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.91 37.82 0.05 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.122 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 62' ' ' SER . 75.3 t -126.38 157.58 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.582 0.813 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.78 123.62 28.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 86.9 m -136.68 48.87 2.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.32 -28.42 8.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -104.71 -34.01 8.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 108.029 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -43.87 151.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.4 p -91.13 -158.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.458 HG13 ' HB2' ' A' ' 32' ' ' LEU . 21.7 t -75.85 -45.26 37.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.4 t -61.65 -58.68 7.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -39.63 -65.21 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' LEU . 84.4 t -51.4 -60.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -38.3 -40.37 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -74.56 -46.26 40.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -59.29 -22.72 61.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.34 -46.57 9.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -56.82 -48.51 77.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.9 t -46.2 -45.85 17.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.691 ' HB3' HG11 ' A' ' 88' ' ' VAL . 25.7 m-85 -89.21 45.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.12 131.41 11.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.75 72.96 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 88' ' ' VAL . 3.6 mt-10 -133.26 125.64 29.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -62.41 111.65 2.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.691 HG11 ' HB3' ' A' ' 83' ' ' PHE . 8.4 m -117.99 175.02 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -119.79 101.81 8.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.415 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 31.2 ttp -92.19 138.04 31.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -114.79 136.4 53.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.499 HG23 ' HG2' ' A' ' 17' ' ' ARG . 17.9 m -135.6 151.6 30.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.34 142.11 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -89.19 140.97 28.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.9 tp -92.33 128.69 38.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -105.28 -162.83 0.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.93 164.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 p -87.06 172.36 10.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.419 1.074 . . . . 0.0 110.03 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.9 m 63.35 135.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.7 p 176.41 155.75 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.043 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 m 60.14 162.39 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 103' ' ' HIS . 0.0 OUTLIER -162.64 -50.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.4 ' O ' ' O ' ' A' ' 102' ' ' MET . 1.4 m-70 61.01 120.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.582 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -157.98 161.98 38.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -104.91 121.85 44.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.2 p -155.06 -174.97 5.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -136.24 95.55 0.24 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.488 1.117 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -49.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.528 1.804 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 8.4 t -112.09 109.07 18.6 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.1 m -62.63 -56.19 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.991 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -138.81 84.48 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 0.0 110.028 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -127.95 121.24 29.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.973 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.62 119.91 0.63 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.06 146.35 18.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 0.763 . . . . 0.0 109.976 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.4 m -79.52 159.51 26.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.4 126.57 7.89 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 20.1 p -139.01 -45.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.021 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -134.1 179.31 6.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m 63.88 122.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -40.63 128.04 2.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.15 135.52 33.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.657 ' CH2' HD11 ' A' ' 95' ' ' LEU . 59.3 m95 -122.84 143.14 50.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 108.028 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.507 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -80.89 178.37 2.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.507 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.97 151.07 39.24 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.8 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.447 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -74.93 129.0 12.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.454 1.765 . . . . 0.0 111.016 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.551 ' CG ' HG22 ' A' ' 92' ' ' VAL . 6.9 ptp180 -89.34 164.64 14.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -113.21 114.35 3.38 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.496 1.123 . . . . 0.0 111.049 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.868 HD13 ' HB2' ' A' ' 54' ' ' ALA . 7.4 mt -108.49 152.28 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.797 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.34 110.79 8.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.605 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.548 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 25.3 p90 -156.72 171.08 21.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.37 105.54 13.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.611 HG13 HD21 ' A' ' 28' ' ' LEU . 43.1 t -40.12 155.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.517 ' H ' HD23 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -117.71 103.45 10.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.38 51.39 1.42 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 0.0 110.356 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -172.1 -39.07 0.03 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 111.044 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -154.87 86.79 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.611 HD21 HG13 ' A' ' 23' ' ' VAL . 72.4 mt -61.47 -41.45 97.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.35 0.18 65.44 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -153.28 166.81 31.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.539 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -127.07 179.09 5.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.539 ' N ' ' OG1' ' A' ' 31' ' ' THR . 56.3 mt -119.63 118.61 31.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.03 163.43 15.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.87 171.78 47.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.62 -70.45 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 0.732 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.514 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -176.06 136.65 0.47 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.439 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.99 132.09 26.39 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.017 0.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.5 HG23 HD12 ' A' ' 60' ' ' ILE . 17.6 m -51.56 178.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -130.54 169.21 15.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.7 t -104.44 115.28 46.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -109.26 100.07 9.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.563 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.677 ' HE1' ' HB3' ' A' ' 49' ' ' ALA . 12.2 m-85 -78.18 108.54 11.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -78.91 -32.1 45.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -126.73 138.14 31.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -17.4 19.56 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.531 1.806 . . . . 0.0 111.032 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.412 ' O ' ' O ' ' A' ' 47' ' ' CYS . 18.0 m80 -106.39 25.09 11.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.615 ' O ' HD12 ' A' ' 51' ' ' LEU . 4.9 p -61.43 -118.34 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 108.269 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 m -143.65 -63.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.677 ' HB3' ' HE1' ' A' ' 42' ' ' PHE . . . -47.37 -53.14 14.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.3 t -52.85 -46.95 68.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.049 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.615 HD12 ' O ' ' A' ' 47' ' ' CYS . 21.9 mt -59.79 -44.0 94.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.548 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -44.89 -62.87 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.03 44.45 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.488 1.117 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.868 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -113.04 -171.87 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.764 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.46 -171.65 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -92.77 149.31 21.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 77.69 5.15 86.09 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 111.011 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.606 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 27.4 m-20 -56.9 122.68 12.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 0.751 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 50.3 m-85 -95.87 107.81 20.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.629 HG21 HD11 ' A' ' 63' ' ' ILE . 4.0 mt -64.4 133.25 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.103 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.431 HG12 ' CG ' ' A' ' 69' ' ' LYS . 3.1 m -115.07 -36.7 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 20.6 m -150.46 162.84 39.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.629 HD11 HG21 ' A' ' 60' ' ' ILE . 38.4 mt -149.34 99.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 68.59 46.28 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 110.313 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.49 -0.82 68.23 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.875 HG11 HD21 ' A' ' 79' ' ' LEU . 48.8 t -85.58 164.76 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.769 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.483 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.7 OUTLIER -99.91 121.34 41.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 57.2 m -134.11 28.91 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 108.302 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.431 ' CG ' HG12 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -96.64 -24.5 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -107.94 -33.07 7.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.154 . . . . 0.0 107.955 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.632 ' CD1' HD13 ' A' ' 79' ' ' LEU . 18.6 mt -47.68 152.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.423 HG23 ' OE1' ' A' ' 75' ' ' GLU . 37.1 p -91.0 -144.95 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.095 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.524 HG13 ' HB2' ' A' ' 32' ' ' LEU . 14.4 t -88.25 -45.64 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -50.68 67.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.01 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.423 ' OE1' HG23 ' A' ' 72' ' ' THR . 0.5 OUTLIER -50.02 -67.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 79' ' ' LEU . 92.5 t -45.45 -56.32 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 76' ' ' VAL . 2.9 mmt -38.04 -49.33 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.07 -44.41 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.875 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -57.53 -29.01 64.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mt -88.16 -47.94 8.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -53.78 -50.46 66.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -47.29 -44.18 23.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.669 ' HB3' HG11 ' A' ' 88' ' ' VAL . 22.6 m-85 -89.77 40.74 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.2 128.0 9.62 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.07 28.04 72.19 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.626 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.7 mt-10 -135.88 125.92 26.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -61.12 112.69 2.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.669 HG11 ' HB3' ' A' ' 83' ' ' PHE . 16.4 m -118.94 168.95 10.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -112.78 104.12 12.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.446 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 24.9 ttp -92.0 138.75 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' O ' HG22 ' A' ' 61' ' ' VAL . 5.0 mptt -120.97 130.97 54.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.551 HG22 ' CG ' ' A' ' 17' ' ' ARG . 35.6 m -132.87 156.32 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.432 HG12 ' C ' ' A' ' 15' ' ' PRO . 2.6 m -131.19 143.02 41.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.4 m -85.18 146.48 27.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.657 HD11 ' CH2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -98.35 118.37 34.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -94.55 -165.14 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.261 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.4 t0 178.07 158.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.452 ' O ' HG22 ' A' ' 99' ' ' THR . 0.1 OUTLIER -90.82 -62.32 1.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 98' ' ' SER . 12.6 t 41.81 28.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.107 . . . . 0.0 110.397 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.409 ' N ' ' C ' ' A' ' 98' ' ' SER . 3.6 m -108.05 103.05 12.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.029 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.6 p -135.37 161.36 35.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 29.0 mtm -121.1 153.04 37.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -170.88 115.06 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.579 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -71.86 164.81 25.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.73 122.05 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.9 p -137.57 157.42 46.57 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.991 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -156.38 81.76 0.16 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.469 1.106 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 148.89 35.9 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 111.014 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.9 t -78.37 140.62 38.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -173.37 170.33 4.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.8 t -168.97 149.16 4.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.979 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.6 p -95.35 111.39 23.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.47 91.92 0.1 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.14 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.49 -59.3 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 0.753 . . . . 0.0 110.036 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -109.27 118.21 36.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.165 . . . . 0.0 109.996 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.56 109.92 3.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.67 86.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 0.761 . . . . 0.0 110.006 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.65 165.75 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.1 t 62.77 167.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 110.002 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -46.29 133.08 9.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.92 121.43 31.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.573 ' CH2' HD12 ' A' ' 95' ' ' LEU . 37.1 m95 -103.19 139.49 38.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 108.0 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -71.73 179.8 0.91 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.053 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.04 149.77 37.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HA ' HG13 ' A' ' 93' ' ' VAL . 18.5 Cg_endo -74.96 138.63 23.38 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.464 1.771 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.504 ' O ' ' CG ' ' A' ' 91' ' ' LYS . 23.0 mtp180 -90.91 165.4 13.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.11 99.69 0.93 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.576 1.173 . . . . 0.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.421 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.2 mt -96.81 151.11 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -139.86 110.71 6.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.619 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.695 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 39.6 p90 -156.97 175.96 13.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -114.2 118.44 33.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.447 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.887 HG13 HD21 ' A' ' 28' ' ' LEU . 77.4 t -53.53 146.65 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.674 ' H ' HD23 ' A' ' 28' ' ' LEU . 1.0 OUTLIER -112.83 109.07 18.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.17 52.15 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -169.81 -40.13 0.03 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -156.81 88.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.887 HD21 HG13 ' A' ' 23' ' ' VAL . 66.5 mt -62.91 -27.65 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.466 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 86.86 -1.83 87.0 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -153.48 169.14 23.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 0.736 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.534 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -137.64 176.79 8.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.677 ' HB2' HG13 ' A' ' 73' ' ' VAL . 48.2 mt -120.75 137.64 54.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.54 159.99 40.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.65 -159.65 23.17 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -108.93 -72.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.774 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.541 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -174.85 138.75 0.62 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.364 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 132.44 27.56 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.028 -2.488 . . . . 0.0 110.981 0.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' N ' ' HA ' ' A' ' 36' ' ' THR . 26.8 m -49.97 159.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.265 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.54 ' NE2' ' CZ ' ' A' ' 59' ' ' TYR . 6.8 mt-30 -113.75 -179.78 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.6 t -119.2 108.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -99.8 85.64 3.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.562 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 1.9 m-85 -56.52 135.01 54.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.6 mt -115.38 -46.31 2.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -103.36 126.14 33.03 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -3.72 14.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -133.07 63.41 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.556 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.494 ' C ' HD12 ' A' ' 51' ' ' LEU . 6.3 p -119.03 162.49 18.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 108.295 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.4 m -50.09 -62.43 1.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.761 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -40.6 -66.98 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.415 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 8.7 t -48.53 -53.94 16.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.494 HD12 ' C ' ' A' ' 47' ' ' CYS . 10.6 mt -51.9 -27.58 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -66.35 -50.19 64.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.48 43.57 0.11 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.562 ' HB3' ' HZ ' ' A' ' 42' ' ' PHE . . . -105.71 165.97 10.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 0.749 . . . . 0.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -135.29 168.53 19.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.36 156.03 35.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 110.313 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.59 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 73.89 15.76 79.56 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 57.7 m-20 -79.82 134.3 36.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.59 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 27.1 m-85 -107.32 111.64 24.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.503 HG22 ' CB ' ' A' ' 68' ' ' CYS . 66.2 mt -61.54 134.94 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.577 HG12 ' HG3' ' A' ' 69' ' ' LYS . 1.4 m -117.46 -38.16 2.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 3.4 m -153.36 162.37 41.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.1 mt -145.83 104.5 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 68.69 32.21 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.95 -15.97 61.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.713 HG11 HD21 ' A' ' 79' ' ' LEU . 79.1 t -74.02 160.58 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.404 ' N ' HG12 ' A' ' 66' ' ' VAL . 1.6 t0 -88.9 134.35 33.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.503 ' CB ' HG22 ' A' ' 60' ' ' ILE . 56.0 m -145.73 32.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 108.281 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.577 ' HG3' HG12 ' A' ' 61' ' ' VAL . 5.8 ttmm -103.52 -28.27 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -107.93 -20.16 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 107.981 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.5 mt -60.87 150.78 31.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 82.4 p -85.74 -161.57 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.677 HG13 ' HB2' ' A' ' 32' ' ' LEU . 75.3 t -76.07 -39.22 36.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -69.89 -56.9 5.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.041 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.62 -67.95 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' LEU . 66.8 t -44.81 -60.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 80' ' ' LEU . 4.0 mmt -39.26 -63.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -51.47 -34.97 37.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.713 HD21 HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -67.7 -29.68 69.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 77' ' ' MET . 4.9 mt -78.26 -47.39 18.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 84' ' ' GLY . 0.3 OUTLIER -51.16 -52.11 47.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.3 t -44.2 -37.59 3.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.982 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.653 ' HB3' HG11 ' A' ' 88' ' ' VAL . 22.2 m-85 -98.17 38.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -71.63 125.72 11.85 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.451 1.094 . . . . 0.0 110.962 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 66.27 32.77 83.07 Favored Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.745 ' O ' HG13 ' A' ' 88' ' ' VAL . 4.4 mt-10 -136.81 123.51 21.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.757 . . . . 0.0 110.276 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -56.94 115.0 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.745 HG13 ' O ' ' A' ' 86' ' ' GLU . 15.6 m -121.92 164.53 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -111.07 102.09 10.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.2 ttp -91.55 142.94 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' ' 17' ' ' ARG . 1.4 mtmt -124.99 132.24 53.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 16' ' ' PRO . 31.8 m -131.84 162.05 40.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -140.3 139.88 35.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.15 135.0 33.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.989 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.573 HD12 ' CH2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -82.74 130.26 35.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mt -123.43 -170.09 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -161.38 165.16 29.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.45 -64.93 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.0 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.1 t -76.6 157.43 31.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.41 95.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.996 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.91 122.84 22.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.963 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.59 151.55 49.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.937 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -162.3 147.17 12.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.483 1.114 . . . . 0.0 109.575 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.7 t30 179.05 123.28 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.72 140.7 52.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 25.2 p -178.61 143.42 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.014 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 167.06 143.43 3.76 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -178.74 4.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.04 121.57 2.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.007 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.02 167.49 21.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.62 158.4 43.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 0.777 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.69 158.66 34.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.17 -152.4 17.27 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 p -124.3 146.79 48.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.966 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -162.13 111.17 1.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.044 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.18 -81.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.1 p 178.95 84.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.12 94.14 1.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.3 t -168.74 148.03 4.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.055 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 153.34 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.85 145.04 37.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -121.05 127.3 51.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 107.987 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.518 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -63.69 178.63 0.39 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.518 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.96 147.92 34.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.459 1.768 . . . . 0.0 111.054 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.472 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -74.95 147.51 34.26 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.79 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.636 ' HG3' HG22 ' A' ' 92' ' ' VAL . 2.3 ptp85 -111.19 127.53 55.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.32 103.56 2.17 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' A' ' 54' ' ' ALA . 2.6 mt -95.61 146.35 7.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.743 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.43 111.31 13.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.567 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.483 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 23.6 p90 -156.73 173.7 16.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.168 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -110.82 135.34 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.926 HG12 ' H ' ' A' ' 25' ' ' GLU . 87.5 t -67.41 135.51 28.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.48 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.3 mp0 -80.71 5.35 15.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.926 ' H ' HG12 ' A' ' 23' ' ' VAL . 3.4 pt-20 32.69 58.19 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 110.277 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 134.98 -46.44 1.04 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.958 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 1.8 m-20 -103.82 49.95 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.562 0.801 . . . . 0.0 109.277 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.919 HD21 HG13 ' A' ' 23' ' ' VAL . 14.2 mt -48.2 -34.68 10.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.2 -0.02 74.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -159.74 175.02 13.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 0.791 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.526 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -134.83 177.06 8.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.685 ' HB2' HG13 ' A' ' 73' ' ' VAL . 19.0 mt -118.78 133.95 55.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -130.59 155.79 45.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.84 -159.88 20.9 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.488 1.117 . . . . 0.0 110.959 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -110.47 -69.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.547 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -176.88 138.99 0.45 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.414 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.0 132.71 28.47 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.994 -2.502 . . . . 0.0 110.997 -0.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.46 ' N ' ' HA ' ' A' ' 36' ' ' THR . 22.2 m -54.4 147.32 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.597 ' OE1' ' CE2' ' A' ' 59' ' ' TYR . 3.9 mt-30 -101.85 -173.51 2.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -119.09 106.27 19.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -93.81 65.6 3.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.585 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.509 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 1.4 m-85 -44.18 133.41 5.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 76.4 mt -116.9 -41.61 3.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -108.7 114.26 58.93 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 0.77 8.46 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.458 1.768 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -122.29 37.25 4.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.616 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.529 ' C ' HD12 ' A' ' 51' ' ' LEU . 28.3 p -101.83 159.08 15.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' ALA . 13.0 p -48.73 -58.93 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 109.987 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.741 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -39.31 -72.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.1 t -47.69 -52.8 17.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.529 HD12 ' C ' ' A' ' 47' ' ' CYS . 13.4 mt -51.72 -25.72 7.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -69.77 -56.61 6.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.68 44.7 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -113.23 167.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -145.24 159.64 42.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.23 170.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.555 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 64.14 12.8 51.31 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 32.8 m-20 -81.53 133.3 35.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.597 ' CE2' ' OE1' ' A' ' 39' ' ' GLN . 17.3 m-85 -104.96 114.56 28.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 48.8 mt -65.74 128.18 28.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.2 m -109.83 -39.53 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 39.2 m -157.28 167.39 30.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.573 HD13 ' HG ' ' A' ' 80' ' ' LEU . 97.0 mt -141.62 114.87 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.19 -57.57 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 177.81 36.69 0.06 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.142 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 62' ' ' SER . 67.3 t -125.44 157.46 34.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.85 122.62 27.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 60.6 m -134.66 46.37 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.433 1.083 . . . . 0.0 108.319 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.19 -28.39 9.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -106.44 -36.4 6.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 107.996 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.5 mt -40.45 151.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.9 p -89.58 -159.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.377 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.685 HG13 ' HB2' ' A' ' 32' ' ' LEU . 7.5 t -79.21 -32.06 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -73.09 -61.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.046 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -38.98 -58.28 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.351 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 79' ' ' LEU . 82.8 t -56.3 -60.56 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.584 ' HG2' HD12 ' A' ' 32' ' ' LEU . 3.8 mmt -37.99 -39.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 111.047 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -75.47 -47.1 28.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -57.49 -22.67 45.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.573 ' HG ' HD13 ' A' ' 63' ' ' ILE . 3.9 mt -88.75 -48.62 7.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 84' ' ' GLY . 21.5 mttt -56.38 -47.27 79.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.7 t -45.57 -35.55 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 29.4 m-85 -95.77 35.73 1.35 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.464 ' CA ' ' HB3' ' A' ' 25' ' ' GLU . . . -60.85 126.64 41.34 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.49 1.119 . . . . 0.0 110.993 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.32 35.31 90.76 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.74 ' O ' HG13 ' A' ' 88' ' ' VAL . 2.0 mm-40 -139.16 122.97 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 110.259 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -55.2 123.38 13.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.74 HG13 ' O ' ' A' ' 86' ' ' GLU . 9.5 m -126.79 168.92 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.359 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -116.91 99.05 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.462 ' SD ' HG13 ' A' ' 92' ' ' VAL . 0.1 OUTLIER -92.69 133.69 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.83 137.57 48.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.636 HG22 ' HG3' ' A' ' 17' ' ' ARG . 34.0 m -137.15 150.01 26.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -132.55 168.12 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.0 m -107.71 151.79 25.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.1 tp -102.7 128.99 49.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 mt -122.82 128.33 50.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.02 168.92 9.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -60.83 3.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.9 t -170.89 163.95 7.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.373 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.5 p -156.2 159.11 38.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.065 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.5 t -177.67 146.49 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.012 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.69 127.25 32.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.61 141.05 52.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -177.93 117.11 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.55 121.99 11.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.81 158.52 39.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.025 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 142.87 97.2 0.26 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.17 6.34 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.466 1.772 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -168.94 136.93 1.97 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 53.7 p -177.79 139.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.575 1.172 . . . . 0.0 109.949 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.02 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.4 p -78.32 64.04 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 109.987 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 m -137.75 130.22 29.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.01 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.54 114.29 5.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.516 1.135 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.1 m -135.8 114.56 11.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.1 p -161.07 159.12 28.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.73 -145.08 7.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.525 1.141 . . . . 0.0 111.04 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.89 84.99 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 110.03 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.2 74.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -176.28 151.44 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.005 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 10' ' ' SER . 10.1 mttp -40.65 138.11 1.03 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.22 129.41 52.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.533 ' CZ2' HD13 ' A' ' 95' ' ' LEU . 55.4 m95 -119.01 154.97 32.23 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.534 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -88.48 179.45 1.65 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.986 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.534 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.2 Cg_endo -75.05 148.33 34.93 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.533 1.807 . . . . 0.0 110.957 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.2 Cg_endo -75.03 129.34 12.22 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.513 ' HG2' HG23 ' A' ' 92' ' ' VAL . 13.4 ptp180 -84.8 158.67 20.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.9 105.32 2.61 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 110.967 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.643 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.7 mt -99.86 148.92 6.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.767 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -140.61 110.78 6.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.476 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 36.0 p90 -157.0 177.5 11.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -115.21 122.44 46.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.436 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 39.6 t -57.06 165.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 28.2 mt-10 -131.34 85.61 2.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -69.62 57.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -171.06 -39.58 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -157.99 100.95 1.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 24' ' ' GLU . 69.3 mt -84.93 147.43 26.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.132 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.473 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -93.44 23.44 30.12 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -171.34 176.26 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.534 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -143.1 176.66 8.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.412 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.534 ' N ' ' OG1' ' A' ' 31' ' ' THR . 44.6 mt -124.59 124.55 42.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.0 163.74 24.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.17 -154.64 21.96 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.544 1.152 . . . . 0.0 110.983 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -112.03 -79.2 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 0.778 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.548 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.5 t -170.96 139.88 1.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.5 Cg_endo -74.92 132.73 28.5 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.007 -0.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.501 HG12 HG23 ' A' ' 73' ' ' VAL . 15.6 m -54.93 142.72 8.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.43 ' NE2' ' CZ ' ' A' ' 59' ' ' TYR . 8.2 mt-30 -96.08 -172.58 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.1 t -125.44 115.65 44.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -106.74 87.49 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.545 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.56 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 5.7 m-85 -57.86 128.84 39.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.1 mt -103.9 -29.26 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -126.06 128.45 24.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.567 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 18.5 Cg_endo -74.98 -9.71 20.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.526 1.803 . . . . 0.0 111.055 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -131.61 65.73 1.56 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.473 ' CB ' ' HA3' ' A' ' 29' ' ' GLY . 1.2 p -108.32 -104.58 0.36 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.472 1.107 . . . . 0.0 108.326 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' ALA . 40.6 m -146.75 -55.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -53.8 -45.04 70.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.451 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.7 t -64.29 -49.37 72.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.994 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 47' ' ' CYS . 45.1 mt -65.81 -21.25 66.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -68.16 -61.27 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 158.08 43.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.643 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -121.86 157.53 30.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.0 pttm -132.84 169.04 17.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -69.25 131.69 45.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.561 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 94.79 19.26 32.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.453 1.096 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 76.0 m-20 -83.22 133.03 35.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 0.755 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 20.3 m-85 -105.82 113.87 27.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 44.6 mt -61.4 127.83 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.515 ' CG1' HG22 ' A' ' 93' ' ' VAL . 31.0 m -113.11 -35.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 61.2 m -159.64 155.11 25.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.973 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.419 HD13 ' HG ' ' A' ' 80' ' ' LEU . 69.8 mt -135.32 113.81 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 75.3 -55.93 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.25 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.73 36.92 0.05 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.49 ' O ' ' CB ' ' A' ' 62' ' ' SER . 64.3 t -126.12 161.82 30.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.477 0.751 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.424 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -89.9 115.14 26.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.263 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.447 ' SG ' HD12 ' A' ' 71' ' ' LEU . 29.1 m -124.18 39.1 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 108.288 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.15 -25.47 14.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -104.6 -34.91 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 108.003 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.447 HD12 ' SG ' ' A' ' 68' ' ' CYS . 14.9 mt -48.53 158.77 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.418 1.074 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 76' ' ' VAL . 9.6 p -99.83 -152.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.382 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.501 HG23 HG12 ' A' ' 38' ' ' VAL . 3.1 t -78.62 -42.02 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -39.43 -57.17 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' LEU . 81.9 t -57.59 -54.85 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.421 ' SD ' ' CE ' ' A' ' 81' ' ' LYS . 1.7 mmt -42.29 -44.68 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 111.022 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -71.84 -36.14 70.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.0 OUTLIER -66.96 -23.47 65.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 80' ' ' LEU . 6.9 mt -89.81 -47.35 7.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.421 ' CE ' ' SD ' ' A' ' 77' ' ' MET . 14.0 mttt -57.86 -48.44 79.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.0 t -47.11 -38.87 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.606 ' HB3' HG11 ' A' ' 88' ' ' VAL . 23.0 m-85 -94.55 39.81 1.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.36 129.74 23.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.0 33.71 86.53 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.798 ' O ' HG13 ' A' ' 88' ' ' VAL . 3.5 mt-10 -137.03 121.19 17.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 0.0 110.29 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.27 113.25 1.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 86' ' ' GLU . 5.1 m -118.81 177.78 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 109.24 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -126.33 98.54 5.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 44.5 ttp -95.94 126.95 41.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 61' ' ' VAL . 21.7 mtpt -106.22 141.25 37.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.513 HG23 ' HG2' ' A' ' 17' ' ' ARG . 10.6 m -136.32 156.66 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.515 HG22 ' CG1' ' A' ' 61' ' ' VAL . 3.9 m -130.12 167.67 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.64 132.18 53.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 109.981 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.533 HD13 ' CZ2' ' A' ' 13' ' ' TRP . 11.1 tp -80.79 122.16 26.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -115.2 123.7 49.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -110.18 164.62 12.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.8 m -66.72 -178.19 0.69 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.8 t -98.11 154.59 17.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.386 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.09 161.31 3.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.38 129.42 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -149.01 125.28 10.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -134.96 170.98 15.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.432 1.083 . . . . 0.0 109.633 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 172.54 158.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.03 167.08 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.59 163.22 12.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 175.43 95.07 0.1 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -179.32 4.86 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 111.029 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.01 170.91 2.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.71 -59.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.23 133.05 34.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 0.751 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -94.82 -58.11 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.956 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.7 99.9 0.49 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m -159.95 118.89 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 0.746 . . . . 0.0 109.974 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.4 m 60.49 113.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.064 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.41 -66.81 0.32 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 0.0 110.977 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.5 t 62.21 104.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 109.963 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.24 105.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.92 130.74 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -85.11 123.68 30.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.63 133.08 33.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -118.05 154.12 32.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 107.988 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.532 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -89.16 179.67 1.53 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.984 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.532 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.04 151.49 39.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.03 126.61 10.06 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.529 1.805 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 91' ' ' LYS . 18.4 mtp180 -85.97 153.43 22.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.45 110.31 3.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.641 HD13 ' HB2' ' A' ' 54' ' ' ALA . 9.8 mt -106.04 151.75 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -140.36 110.41 6.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.579 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 34.1 p90 -157.12 174.44 15.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.982 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -114.18 108.16 16.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.53 HG22 HD22 ' A' ' 80' ' ' LEU . 37.8 t -43.05 164.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.466 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 3.6 mt-10 -126.96 84.68 2.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.06 58.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.28 -40.14 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -155.68 105.92 2.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 24' ' ' GLU . 76.3 mt -92.92 147.45 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.9 24.96 30.06 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -168.93 163.18 11.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.607 HG22 HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -129.43 176.87 7.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.387 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.564 ' HB2' HG13 ' A' ' 73' ' ' VAL . 81.6 mt -120.51 113.6 20.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -113.2 157.2 22.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.57 -166.19 30.26 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.08 -71.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.562 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.2 t -175.63 141.31 0.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.04 132.25 26.93 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.971 -2.512 . . . . 0.0 110.992 0.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' N ' ' HA ' ' A' ' 36' ' ' THR . 28.8 m -53.24 156.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.424 ' HG3' ' CD2' ' A' ' 59' ' ' TYR . 4.3 mt-30 -110.94 -171.35 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 58' ' ' ASP . 87.6 t -125.47 112.5 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.423 ' O ' ' C ' ' A' ' 42' ' ' PHE . 6.6 t60 -100.08 64.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.583 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.616 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -36.18 126.94 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.48 1.113 . . . . 0.0 111.022 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.607 HD11 HG22 ' A' ' 31' ' ' THR . 32.4 mt -111.01 -30.04 7.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -126.58 113.82 22.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.471 ' O ' ' CD2' ' A' ' 46' ' ' HIS . 18.4 Cg_endo -74.95 1.08 8.11 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.457 1.767 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 45' ' ' PRO . 34.6 m170 -144.45 60.76 1.34 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.627 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.7 p -114.99 -50.44 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 108.289 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.517 ' N ' HD12 ' A' ' 51' ' ' LEU . 1.6 m 170.33 -67.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 110.027 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.686 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -41.48 -56.43 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.25 -44.15 75.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.517 HD12 ' N ' ' A' ' 48' ' ' SER . 2.0 mt -66.26 -16.69 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -73.83 -55.5 6.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.79 44.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -111.52 174.77 5.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -148.28 166.58 27.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -71.31 139.92 50.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.57 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 87.98 15.62 60.8 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' O ' HG23 ' A' ' 40' ' ' VAL . 75.4 m-20 -77.9 129.2 35.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 25.1 m-85 -103.09 117.54 34.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.469 HD12 HG23 ' A' ' 38' ' ' VAL . 9.6 mt -67.33 126.26 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' CYS . 6.8 m -114.06 -38.41 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.8 m -151.35 162.55 40.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.789 ' H ' HG12 ' A' ' 66' ' ' VAL . 34.9 mt -147.66 106.22 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 77.38 -0.31 2.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.42 10.89 10.09 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.91 HG11 ' CD2' ' A' ' 79' ' ' LEU . 4.3 p -84.49 -177.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.738 ' H ' HG22 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -114.89 93.72 4.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 61' ' ' VAL . 63.8 m -110.08 43.38 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.7 -24.83 13.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 18.4 m95 -110.39 -36.43 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.027 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.439 HD12 ' SG ' ' A' ' 68' ' ' CYS . 20.5 mt -41.81 154.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.5 p -94.15 -151.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.564 HG13 ' HB2' ' A' ' 32' ' ' LEU . 52.9 t -82.72 -51.74 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.1 t -55.03 -44.98 75.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.41 -71.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.454 HG12 HD11 ' A' ' 32' ' ' LEU . 55.0 t -40.98 -59.22 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 4.4 mmt -37.75 -51.71 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -67.44 -41.07 85.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.91 ' CD2' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -59.0 -31.0 68.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.319 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.53 HD22 HG22 ' A' ' 23' ' ' VAL . 6.7 mt -84.72 -46.17 11.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -53.99 -50.94 65.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 t -47.79 -43.39 27.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.699 ' HB3' HG11 ' A' ' 88' ' ' VAL . 16.0 m-30 -89.74 42.33 1.09 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.61 134.01 15.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 62.5 23.98 65.41 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.634 ' O ' HG13 ' A' ' 88' ' ' VAL . 4.0 mt-10 -127.92 125.93 40.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 0.801 . . . . 0.0 110.3 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -64.48 110.19 2.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.699 HG11 ' HB3' ' A' ' 83' ' ' PHE . 4.5 m -116.19 175.66 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -121.5 99.66 6.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.503 ' SD ' ' CG1' ' A' ' 92' ' ' VAL . 0.1 OUTLIER -91.99 137.71 32.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -114.61 137.64 51.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.336 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.503 ' CG1' ' SD ' ' A' ' 90' ' ' MET . 15.5 m -133.64 149.15 30.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.432 HG12 ' C ' ' A' ' 15' ' ' PRO . 2.3 m -128.56 140.63 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 m -86.03 145.42 27.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.94 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.4 tp -97.23 129.86 44.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -113.18 127.56 56.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -146.15 153.37 40.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 p -71.39 178.2 3.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.4 m -151.56 116.76 5.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.8 t -103.22 167.82 9.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.026 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.91 168.14 27.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.61 133.45 23.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.57 1.169 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -93.64 159.21 15.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -130.12 142.06 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.348 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.0 142.09 37.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.51 163.63 15.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -102.93 136.63 12.96 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -177.71 3.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.47 1.774 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.9 m -132.22 167.18 20.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.943 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 72.0 p -128.49 152.57 48.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 111.051 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t 178.08 85.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 0.747 . . . . 0.0 109.985 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -155.3 146.02 22.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.027 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.43 144.77 4.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.565 1.165 . . . . 0.0 111.038 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -107.01 147.5 29.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 0.78 . . . . 0.0 109.993 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.6 p -171.84 134.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.05 83.18 0.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.9 m -135.76 112.31 9.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.63 70.38 6.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.38 145.66 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -49.33 126.4 12.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.374 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.94 129.08 35.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -115.8 151.61 34.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 108.001 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.441 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -85.39 174.78 5.24 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.0 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.481 ' C ' HG12 ' A' ' 93' ' ' VAL . 18.2 Cg_endo -74.98 155.01 42.98 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 142.03 27.16 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.467 1.772 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.578 ' HG3' HG22 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -108.67 130.2 55.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.334 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.35 99.73 2.08 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.464 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.4 mt -90.21 150.04 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.551 0.795 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 110.62 10.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.629 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.586 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 27.8 p90 -157.14 171.01 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.23 119.9 39.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG13 HD21 ' A' ' 28' ' ' LEU . 58.4 t -58.64 145.34 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.6 115.17 23.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.247 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.36 47.53 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -157.99 -42.47 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 111.052 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -151.13 97.58 2.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.445 HD21 HG13 ' A' ' 23' ' ' VAL . 54.2 mt -73.65 -24.59 60.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.34 -1.9 63.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -151.48 176.84 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 0.747 . . . . 0.0 111.051 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.536 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -145.03 177.3 8.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.536 ' N ' ' OG1' ' A' ' 31' ' ' THR . 22.7 mt -133.21 128.68 36.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.347 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.584 ' HG3' ' CE1' ' A' ' 41' ' ' HIS . 0.7 OUTLIER -87.09 160.79 18.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.52 110.01 2.96 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 175.82 -165.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 0.794 . . . . 0.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.475 ' HA ' ' N ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -168.47 127.94 1.0 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.474 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.1 Cg_endo -75.0 128.09 15.72 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.986 0.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' N ' ' HA ' ' A' ' 36' ' ' THR . 14.7 m -40.63 136.02 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.602 ' CD ' ' CE2' ' A' ' 59' ' ' TYR . 62.9 mt-30 -106.42 146.32 30.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.9 t -82.18 136.97 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.584 ' CE1' ' HG3' ' A' ' 33' ' ' ARG . 6.5 m-70 -126.57 70.2 1.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.562 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.675 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 9.7 m-85 -38.41 133.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.474 HD23 ' HA ' ' A' ' 43' ' ' LEU . 13.6 mt -107.91 -26.53 10.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.95 130.7 24.13 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -7.52 19.23 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -125.52 58.72 1.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.613 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.447 ' C ' HD12 ' A' ' 51' ' ' LEU . 12.8 p -113.83 153.3 29.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 108.252 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -48.01 -61.19 2.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.98 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.755 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -40.48 -62.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -52.73 -47.54 67.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 110.01 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.447 HD12 ' C ' ' A' ' 47' ' ' CYS . 5.9 mt -62.9 -17.76 62.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.755 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -71.97 -57.79 4.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 149.4 44.47 0.03 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.705 ' HB1' ' OD2' ' A' ' 58' ' ' ASP . . . -115.56 166.57 11.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 0.728 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -129.39 -171.74 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -89.81 135.74 33.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.594 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 88.38 14.01 62.61 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.705 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 45.2 m-20 -60.87 125.3 23.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 109.272 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.602 ' CE2' ' CD ' ' A' ' 39' ' ' GLN . 60.6 m-85 -98.94 98.36 9.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 68' ' ' CYS . 36.0 mt -56.1 133.75 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 91' ' ' LYS . 4.4 m -116.44 -37.68 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 40.0 m -161.05 156.95 25.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.418 HD13 ' HG ' ' A' ' 80' ' ' LEU . 87.9 mt -132.54 112.23 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 74.38 -56.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.265 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.7 36.59 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.499 ' O ' ' CB ' ' A' ' 62' ' ' SER . 57.1 t -125.55 153.67 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 109.367 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.0 124.08 28.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.415 ' SG ' HD12 ' A' ' 71' ' ' LEU . 95.3 m -136.09 53.42 1.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 108.286 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -106.91 -36.5 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 71' ' ' LEU . 4.7 m95 -103.85 -33.65 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 108.052 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.415 HD12 ' SG ' ' A' ' 68' ' ' CYS . 16.7 mt -39.5 149.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.5 p -90.41 -158.41 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 12.6 t -74.71 -51.57 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.7 t -55.8 -58.22 8.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -42.44 -55.28 3.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' LEU . 53.4 t -63.76 -61.25 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.0 mmt -39.65 -45.9 1.74 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.123 . . . . 0.0 111.03 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.7 mttp -65.44 -44.07 88.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.463 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -63.02 -23.8 67.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HG ' HD13 ' A' ' 63' ' ' ILE . 5.1 mt -86.56 -47.5 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 84' ' ' GLY . 19.9 mttt -56.91 -49.31 75.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.6 t -44.06 -37.81 3.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.515 ' HB3' HG11 ' A' ' 88' ' ' VAL . 25.0 m-85 -95.5 40.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -71.43 126.84 13.34 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.5 21.53 77.6 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.615 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.2 mt-10 -131.73 123.06 26.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 0.731 . . . . 0.0 110.289 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 2.4 tt0 -60.44 123.48 17.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.615 HG13 ' O ' ' A' ' 86' ' ' GLU . 6.2 m -124.68 171.83 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -115.68 100.86 8.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.432 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 34.2 ttp -92.16 136.89 32.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -115.33 128.57 56.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.578 HG22 ' HG3' ' A' ' 17' ' ' ARG . 34.3 m -133.77 154.53 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.481 HG12 ' C ' ' A' ' 15' ' ' PRO . 3.6 m -133.81 163.55 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 9.5 t -104.88 165.68 10.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.426 ' C ' HD13 ' A' ' 96' ' ' LEU . 37.6 tp -114.19 126.7 55.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.512 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -112.11 126.33 55.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.322 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.59 152.88 36.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -57.65 164.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.3 m -113.29 124.31 52.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.7 p -126.1 155.13 42.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.15 123.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.005 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.68 145.48 3.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -172.46 166.3 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.633 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -170.22 161.0 8.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.72 155.15 41.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.69 152.21 0.78 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.103 . . . . 0.0 109.96 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 153.31 84.23 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.548 1.155 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -67.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.46 1.769 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.04 136.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.154 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 t -150.69 154.58 37.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.73 90.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.025 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.01 151.15 45.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.001 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.27 175.38 25.04 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.456 1.097 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.74 117.51 9.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.6 p -127.51 112.94 15.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.953 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.04 -105.81 3.0 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p -137.63 86.92 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 0.764 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -155.63 141.68 18.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.06 155.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -54.44 135.56 45.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -92.29 124.72 36.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.533 ' CE2' HD13 ' A' ' 95' ' ' LEU . 61.7 m95 -118.99 150.3 40.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 108.021 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.402 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.9 OUTLIER -80.89 173.31 7.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.993 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.47 ' C ' HG12 ' A' ' 93' ' ' VAL . 18.3 Cg_endo -74.97 147.85 34.6 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.01 128.8 11.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.505 ' HG2' HG23 ' A' ' 92' ' ' VAL . 9.5 ptp180 -91.44 160.97 15.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -108.02 114.39 4.16 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.426 1.079 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.458 HD13 ' HB2' ' A' ' 54' ' ' ALA . 3.1 mt -109.02 154.6 10.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.555 0.797 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -139.82 110.3 6.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.588 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.674 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 34.9 p90 -157.41 174.53 15.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.2 m -109.57 128.23 55.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.41 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 40.8 t -66.38 165.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.482 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 1.4 mm-40 -131.05 84.69 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.43 59.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 24' ' ' GLU . . . -170.92 -39.53 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -157.34 107.49 2.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.24 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 99.6 mt -95.25 146.3 24.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -90.54 19.87 41.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -166.75 176.1 7.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 0.795 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -143.88 177.01 8.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.548 1.155 . . . . 0.0 110.424 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.533 ' N ' ' OG1' ' A' ' 31' ' ' THR . 49.4 mt -116.21 123.12 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -121.27 156.96 31.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.9 -165.35 30.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -101.86 -72.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.562 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 3.7 t -174.61 140.79 0.72 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.562 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.01 133.49 31.67 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.055 -2.477 . . . . 0.0 110.942 0.026 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.454 ' N ' ' HA ' ' A' ' 36' ' ' THR . 19.6 m -55.11 152.9 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' NE2' ' CE2' ' A' ' 59' ' ' TYR . 2.6 mt-30 -106.65 -169.98 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.333 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 50.0 t -123.04 103.55 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -96.35 67.14 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.627 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.449 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 1.4 m-85 -41.57 137.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.4 mt -111.82 -35.59 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -113.34 128.05 26.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -1.79 11.7 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.46 1.769 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.431 ' HA ' HD21 ' A' ' 51' ' ' LEU . 24.1 m80 -136.68 64.07 1.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.594 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.544 ' O ' ' C ' ' A' ' 48' ' ' SER . 5.4 p -120.95 141.95 50.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 108.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.544 ' C ' ' O ' ' A' ' 47' ' ' CYS . 0.4 OUTLIER -28.0 -64.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.53 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -38.36 -56.06 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 47' ' ' CYS . 9.5 t -63.62 -47.42 81.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -53.96 -25.13 19.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.674 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -72.48 -58.5 3.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 147.81 44.59 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -109.43 163.97 12.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -141.44 172.98 11.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.97 172.91 9.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.426 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 59.38 19.63 47.84 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 48.1 m-20 -89.15 130.33 35.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 0.777 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.46 ' CE2' ' NE2' ' A' ' 39' ' ' GLN . 14.2 m-85 -105.58 115.34 30.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 111.02 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.4 ' CD1' HG23 ' A' ' 38' ' ' VAL . 2.6 mp -65.65 127.65 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.7 m -109.6 -39.48 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 71.0 m -154.21 160.26 41.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.452 HD13 ' HG ' ' A' ' 80' ' ' LEU . 90.3 mt -138.23 114.07 10.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 75.35 -57.12 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.64 37.37 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 62' ' ' SER . 62.9 t -124.14 162.89 24.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.75 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.44 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -90.85 114.72 27.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.843 ' SG ' HD12 ' A' ' 71' ' ' LEU . 53.1 m -126.87 49.94 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 108.253 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.74 -8.8 11.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 0.0 109.25 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 33.4 m95 -132.55 10.68 4.41 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.843 HD12 ' SG ' ' A' ' 68' ' ' CYS . 30.0 mt -87.24 155.04 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 73.9 p -86.94 -168.64 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.381 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.7 t -75.98 -27.34 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.316 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -79.43 -53.85 6.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.96 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -44.88 -63.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 79' ' ' LEU . 71.8 t -51.45 -54.23 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 3.3 mmt -46.85 -29.26 1.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.35 -33.42 22.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.546 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -71.81 -22.94 61.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HG ' HD13 ' A' ' 63' ' ' ILE . 9.9 mt -88.72 -49.86 6.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 84' ' ' GLY . 18.9 mttm -54.83 -48.26 73.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -45.96 -42.13 12.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.624 ' HB3' HG11 ' A' ' 88' ' ' VAL . 24.8 m-85 -92.21 35.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -62.05 136.28 45.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 53.64 27.93 36.37 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.772 ' O ' HG13 ' A' ' 88' ' ' VAL . 1.6 mt-10 -128.99 121.02 27.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 0.778 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.56 119.61 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.772 HG13 ' O ' ' A' ' 86' ' ' GLU . 5.2 m -128.5 174.6 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.81 100.44 7.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.624 ' SD ' HG13 ' A' ' 92' ' ' VAL . 0.1 OUTLIER -92.11 140.61 29.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 111.035 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -113.96 138.54 50.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.624 HG13 ' SD ' ' A' ' 90' ' ' MET . 15.6 m -135.86 155.45 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.47 HG12 ' C ' ' A' ' 15' ' ' PRO . 3.2 m -135.64 159.86 39.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.258 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.59 133.39 46.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.047 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.533 HD13 ' CE2' ' A' ' 13' ' ' TRP . 20.4 tp -89.62 114.18 25.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.437 HD13 ' N ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -94.6 -161.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -135.39 178.24 7.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 p -103.11 -179.46 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.1 m -82.77 140.1 33.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.373 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 34.0 p -133.97 139.0 45.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.64 133.47 32.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.051 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.9 ttm 57.61 157.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.42 -59.55 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.558 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 59.75 154.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.239 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -135.3 154.51 51.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.3 m -102.81 158.85 15.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.021 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -120.54 97.12 0.63 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.456 1.097 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 176.03 10.46 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.46 135.26 33.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.032 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.6 t -106.1 160.98 14.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.531 1.144 . . . . 0.0 110.997 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.27 161.27 1.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 0.0 110.026 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -153.93 -58.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.028 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.12 -163.23 24.3 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 t -80.66 124.19 28.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -155.11 144.42 21.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.2 119.3 6.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.52 1.137 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -67.71 118.42 10.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.73 88.68 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.78 134.92 35.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.003 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.13 158.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.7 141.08 47.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.575 ' CH2' ' HG ' ' A' ' 95' ' ' LEU . 40.4 m95 -120.87 155.78 33.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.536 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -86.57 179.94 1.62 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.05 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.536 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.5 Cg_endo -75.0 148.86 35.87 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.5 Cg_endo -74.93 149.71 37.44 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.495 1.787 . . . . 0.0 111.016 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.622 ' HG3' HG22 ' A' ' 92' ' ' VAL . 1.3 ptp85 -109.05 125.59 52.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.358 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.4 103.48 1.84 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.972 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.487 HD13 ' HB2' ' A' ' 54' ' ' ALA . 5.4 mt -96.08 148.75 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -131.75 110.39 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.601 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.606 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 39.6 p90 -157.31 172.66 18.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.45 120.75 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.404 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.765 HG13 HD21 ' A' ' 28' ' ' LEU . 54.1 t -59.98 148.88 7.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.657 ' H ' HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -121.64 115.07 22.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 110.305 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.466 ' CG ' ' HA3' ' A' ' 84' ' ' GLY . 9.6 mt-10 -79.46 52.14 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.29 -38.5 0.05 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.53 1.143 . . . . 0.0 111.022 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.69 92.54 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 0.744 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.765 HD21 HG13 ' A' ' 23' ' ' VAL . 71.1 mt -73.23 -38.36 66.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.65 6.5 59.53 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 28' ' ' LEU . 5.5 p90 -167.12 161.32 14.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.542 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -128.64 177.44 7.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.413 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.542 ' N ' ' OG1' ' A' ' 31' ' ' THR . 15.2 mt -125.71 143.14 51.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.502 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 1.9 mmt180 -96.41 159.85 14.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -72.27 112.23 3.93 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.516 ' C ' ' CG2' ' A' ' 36' ' ' THR . 1.4 m120 158.85 -177.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 0.754 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.516 ' CG2' ' C ' ' A' ' 35' ' ' ASN . 1.5 p -154.43 129.04 4.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.412 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.02 135.24 39.6 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 121.015 -2.494 . . . . 0.0 111.006 0.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 15.9 m -52.75 141.62 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.528 ' HG2' ' CE2' ' A' ' 59' ' ' TYR . 38.2 mt-30 -91.65 -175.28 4.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.3 t -123.76 121.14 61.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.335 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.414 ' O ' ' C ' ' A' ' 42' ' ' PHE . 12.1 t60 -110.99 66.49 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.763 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -36.62 142.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD11 HG22 ' A' ' 31' ' ' THR . 63.7 mt -117.52 -39.46 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.374 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.43 115.18 42.41 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 1.37 7.83 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.429 1.752 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -132.67 44.71 2.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.4 172.66 6.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 108.324 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 49' ' ' ALA . 47.4 m -53.11 -67.22 0.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.735 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -40.16 -66.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.475 ' HA ' ' CZ ' ' A' ' 42' ' ' PHE . 1.9 t -44.5 -58.22 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.8 mt -51.75 -42.96 62.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -42.91 -67.63 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 153.95 44.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.763 ' HB3' ' HZ ' ' A' ' 42' ' ' PHE . . . -105.79 177.53 4.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 0.749 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.54 177.03 8.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -88.97 120.76 30.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 110.08 -12.66 31.6 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.415 ' O ' ' HA ' ' A' ' 39' ' ' GLN . 74.2 m-20 -39.73 137.91 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.678 ' CE2' HD12 ' A' ' 95' ' ' LEU . 21.9 m-85 -111.08 98.88 7.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.687 ' HA ' HG12 ' A' ' 92' ' ' VAL . 84.5 mt -49.8 117.68 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.7 p -107.23 -26.92 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 73.8 m -167.18 161.36 14.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.986 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.455 HD13 ' HG ' ' A' ' 80' ' ' LEU . 62.9 mt -144.91 113.97 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 69.94 6.57 5.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 110.329 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.95 4.82 33.62 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.434 HG11 HD11 ' A' ' 79' ' ' LEU . 85.3 t -85.52 152.04 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.78 114.95 19.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.438 ' SG ' HD12 ' A' ' 71' ' ' LEU . 64.7 m -131.71 56.57 1.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 108.309 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 -29.83 7.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -107.58 -34.09 7.12 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 108.019 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.438 HD12 ' SG ' ' A' ' 68' ' ' CYS . 11.5 mt -41.17 145.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 50.8 p -90.35 -172.42 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 33' ' ' ARG . 9.8 t -61.55 -45.99 97.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 34.2 p -61.14 -63.64 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -40.0 -62.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 110.267 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 79' ' ' LEU . 53.6 t -51.03 -61.83 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.451 ' HE3' ' HG ' ' A' ' 32' ' ' LEU . 4.1 mmt -39.43 -50.92 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -60.72 -43.44 97.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 76' ' ' VAL . 0.1 OUTLIER -61.16 -28.73 69.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.491 HD22 HG22 ' A' ' 23' ' ' VAL . 6.2 mt -84.33 -47.15 11.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 84' ' ' GLY . 8.4 mttt -54.44 -48.56 71.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.3 t -44.99 -37.33 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.001 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.518 ' CB ' HG11 ' A' ' 88' ' ' VAL . 19.6 m-85 -94.87 35.6 1.24 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.466 ' HA3' ' CG ' ' A' ' 25' ' ' GLU . . . -68.6 121.42 12.64 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.094 . . . . 0.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.12 21.92 66.7 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -136.31 138.43 41.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 0.75 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' PHE . 2.9 tt0 -72.11 128.83 36.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.518 HG11 ' CB ' ' A' ' 83' ' ' PHE . 10.9 m -131.41 165.46 31.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -109.0 102.94 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 25.9 ttp -92.09 139.45 30.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.45 126.95 50.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.687 HG12 ' HA ' ' A' ' 60' ' ' ILE . 33.6 m -133.27 141.28 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.8 m -115.24 151.03 17.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 109.249 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.1 t -85.58 165.72 16.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.945 ' C ' HD13 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -114.37 125.54 53.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.945 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -118.0 126.29 52.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -133.79 146.31 50.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.9 m -58.89 178.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.076 . . . . 0.0 109.988 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 13.5 t -100.08 154.36 18.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.61 134.12 22.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 80.0 p -178.26 149.41 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 1.8 ptm -136.62 158.02 45.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -152.5 153.28 33.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 109.643 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -169.69 156.15 6.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 146.54 33.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.74 98.03 4.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 158.7 126.57 0.87 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 145.37 31.13 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.538 1.809 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.82 144.74 32.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 109.978 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 t -102.65 169.5 8.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m 62.97 132.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 0.0 110.0 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.59 163.57 4.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.92 85.38 0.05 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -157.66 123.79 4.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 110.002 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -163.25 96.47 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.98 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.66 113.2 5.02 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.4 t -124.51 147.36 48.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.033 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.46 62.23 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.4 p -113.33 176.64 4.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.039 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.11 168.09 14.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.146 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -127.03 141.68 51.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.626 ' CZ2' HD13 ' A' ' 95' ' ' LEU . 56.1 m95 -122.2 150.06 42.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 108.02 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.509 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -83.25 178.49 2.4 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.006 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -74.95 147.79 34.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 18.5 Cg_endo -75.01 133.15 16.23 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HD2' ' CG2' ' A' ' 92' ' ' VAL . 13.0 ptp180 -95.68 150.7 20.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.95 109.11 3.78 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.733 HD13 ' HB2' ' A' ' 54' ' ' ALA . 4.3 mt -99.49 151.46 4.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.85 110.57 7.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 109.611 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.708 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 25.2 p90 -156.97 173.23 17.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.2 106.94 15.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.37 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 47.1 t -41.37 156.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -117.96 98.65 6.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.39 54.18 0.9 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.08 -37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.4 80.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 0.744 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.5 mt -54.17 -42.04 69.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.09 3.75 69.68 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -159.32 174.17 15.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 0.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.576 HG22 ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -132.31 178.72 6.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.448 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.533 ' N ' ' OG1' ' A' ' 31' ' ' THR . 88.9 mt -124.55 112.37 16.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.69 166.51 11.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.66 -177.36 53.45 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 111.032 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.91 -71.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 0.747 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.523 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.1 t -173.51 138.49 0.77 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.398 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -75.02 132.06 26.32 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.991 0.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.457 ' N ' ' HA ' ' A' ' 36' ' ' THR . 24.3 m -51.09 154.9 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.479 ' O ' HD23 ' A' ' 32' ' ' LEU . 5.2 mt-30 -101.24 -178.74 3.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 60.9 t -122.42 99.66 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.47 ' HB3' HG23 ' A' ' 31' ' ' THR . 0.7 OUTLIER -95.23 104.51 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.566 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.681 ' HE1' ' HB3' ' A' ' 49' ' ' ALA . 5.7 m-85 -80.58 110.24 15.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.576 ' CD2' HG22 ' A' ' 31' ' ' THR . 1.3 mm? -85.15 -34.37 22.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -119.83 136.39 24.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.72 5.95 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.511 1.796 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -95.26 29.39 2.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.627 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.566 ' O ' HD12 ' A' ' 51' ' ' LEU . 6.6 p -62.49 -121.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.277 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.3 m -144.87 -49.9 0.26 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.153 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.681 ' HB3' ' HE1' ' A' ' 42' ' ' PHE . . . -60.91 -52.09 66.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 t -55.36 -36.49 66.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 47' ' ' CYS . 32.2 mt -70.48 -44.57 67.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.708 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -45.16 -65.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 162.59 43.52 0.02 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.733 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -120.05 172.29 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -137.58 -179.49 5.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -79.24 156.81 27.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.514 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 71.17 20.14 77.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -85.6 137.18 33.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 0.739 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.514 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 18.0 m-85 -108.21 121.9 45.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.33 130.1 35.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 91' ' ' LYS . 5.9 m -110.4 -36.75 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 58.4 m -152.63 157.37 40.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.994 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.675 ' H ' HG12 ' A' ' 66' ' ' VAL . 11.9 mt -134.86 99.1 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER 77.89 -3.26 2.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.267 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 136.42 -30.41 2.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.767 HG11 ' CD2' ' A' ' 79' ' ' LEU . 4.5 p -50.36 178.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 0.736 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.678 ' H ' HG22 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -116.69 100.89 8.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' VAL . 36.9 m -109.18 44.1 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.21 -24.46 13.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -110.23 -39.32 5.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.406 HD12 ' SG ' ' A' ' 68' ' ' CYS . 32.2 mt -40.75 159.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 76' ' ' VAL . 16.6 p -100.34 -156.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 110.432 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 37.3 t -76.45 -49.52 24.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 t -53.64 -66.29 0.42 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -39.49 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' LEU . 70.6 t -41.09 -62.21 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.408 ' HG2' HD12 ' A' ' 32' ' ' LEU . 1.8 mmt -39.0 -49.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -41.58 85.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.767 ' CD2' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -60.76 -30.7 70.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 mt -83.49 -46.03 12.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -57.3 -41.83 80.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.9 t -54.82 -44.88 74.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.597 ' HB3' HG11 ' A' ' 88' ' ' VAL . 21.5 m-85 -88.68 37.99 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.21 126.81 10.44 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.35 27.12 73.18 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.654 ' O ' HG13 ' A' ' 88' ' ' VAL . 5.3 mt-10 -133.29 124.62 27.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 0.751 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.29 111.84 2.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 86' ' ' GLU . 4.7 m -118.13 -178.01 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -124.67 101.02 6.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.509 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 31.0 ttp -91.98 135.7 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.456 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -113.46 130.87 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 17' ' ' ARG . 28.2 m -128.38 154.74 39.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 2.4 m -134.14 168.75 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -106.68 141.6 37.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.626 HD13 ' CZ2' ' A' ' 13' ' ' TRP . 16.5 tp -96.37 115.48 27.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -107.12 126.19 52.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -150.11 153.8 37.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -65.11 0.73 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.2 m 62.44 101.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.426 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 38.6 p -97.44 128.94 44.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.7 163.7 15.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.967 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.58 131.56 29.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -144.7 138.42 27.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.618 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -172.94 150.67 2.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.69 162.74 15.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.74 168.11 28.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.95 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 170.5 96.99 0.1 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 164.96 32.27 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.99 152.91 23.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.1 p -103.94 138.7 40.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 109.973 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -164.73 -58.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 0.759 . . . . 0.0 110.009 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m -156.74 -58.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.02 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.61 103.34 0.79 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -95.1 147.06 23.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 0.757 . . . . 0.0 110.036 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 179.64 155.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 110.026 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.49 -174.1 0.71 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.1 86.9 2.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.466 0.745 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.23 95.44 2.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.364 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.15 138.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.015 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -48.7 119.65 3.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -80.35 124.26 28.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.497 ' CZ3' ' HB2' ' A' ' 95' ' ' LEU . 76.2 m95 -111.25 156.25 21.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.548 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -94.17 -179.63 1.03 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.997 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.548 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.98 149.19 36.42 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.486 1.782 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 151.39 39.45 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' CD ' ' CG2' ' A' ' 92' ' ' VAL . 11.3 ptp180 -109.75 151.02 27.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.84 111.04 4.15 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.728 HD13 ' HB2' ' A' ' 54' ' ' ALA . 5.7 mt -105.54 150.91 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.787 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -138.32 111.53 7.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.618 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.494 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 46.5 p90 -153.91 171.69 18.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.588 HG23 ' HA2' ' A' ' 85' ' ' GLY . 1.6 m -111.07 107.33 16.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 110.39 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 24' ' ' GLU . 41.8 t -43.2 163.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' N ' ' CG1' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -136.41 110.52 8.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -83.66 49.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -164.32 -41.17 0.02 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -149.84 90.64 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.1 mt -65.1 -25.55 67.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.82 5.56 69.86 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.523 1.14 . . . . 0.0 111.001 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -160.89 163.49 31.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.787 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.516 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -129.93 176.89 7.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.569 ' HB2' HG13 ' A' ' 73' ' ' VAL . 50.2 mt -118.8 150.36 39.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.491 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 12.1 mmt180 -97.39 160.82 14.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -80.77 108.84 2.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.522 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 1.1 m120 154.05 -170.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.532 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -156.98 135.66 7.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.449 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -75.02 130.43 21.28 Favored 'Cis proline' 0 C--N 1.359 1.131 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.967 0.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.487 ' N ' ' HA ' ' A' ' 36' ' ' THR . 27.7 m -49.49 146.4 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.554 ' CD ' ' CZ ' ' A' ' 59' ' ' TYR . 1.0 OUTLIER -101.77 -170.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -126.31 119.79 54.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -102.27 65.89 0.97 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.571 1.169 . . . . 0.0 109.57 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.598 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 2.7 m-85 -38.4 126.26 1.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 43' ' ' LEU . 25.5 mt -109.48 -29.14 8.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -130.33 119.12 18.43 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 1.47 7.71 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.508 ' HA ' HD11 ' A' ' 51' ' ' LEU . 32.0 m170 -134.61 51.85 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' SER . 6.9 p -104.22 -49.34 3.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 108.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 47' ' ' CYS . 0.4 OUTLIER 158.41 -65.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.978 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -44.12 -50.0 8.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.467 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 5.5 t -58.96 -47.44 85.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.508 HD11 ' HA ' ' A' ' 46' ' ' HIS . 1.3 mt -65.47 -24.97 67.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -62.48 -63.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 161.53 42.21 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.728 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -118.03 161.72 19.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 0.81 . . . . 0.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 58' ' ' ASP . 10.3 mttt -143.14 153.69 43.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.298 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -48.94 115.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.404 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 115.64 24.95 3.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.74 ' HB3' HG11 ' A' ' 92' ' ' VAL . 55.8 m-20 -84.75 115.55 22.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.554 ' CZ ' ' CD ' ' A' ' 39' ' ' GLN . 28.4 m-85 -93.81 101.04 13.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.855 HD13 HG11 ' A' ' 76' ' ' VAL . 26.1 mt -48.62 116.44 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.4 p -110.24 -39.2 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.493 ' O ' ' CG1' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -145.66 170.13 17.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.934 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.493 ' CG1' ' O ' ' A' ' 62' ' ' SER . 14.7 mt -156.57 101.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 71.7 17.14 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.279 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.7 10.9 54.92 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.606 HG11 HD21 ' A' ' 79' ' ' LEU . 98.6 t -90.62 163.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.471 ' N ' HG12 ' A' ' 66' ' ' VAL . 6.2 t0 -88.91 113.82 24.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.415 ' SG ' HD12 ' A' ' 71' ' ' LEU . 87.9 m -134.87 49.45 2.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 108.309 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.14 -27.3 12.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -109.39 -35.48 6.25 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.415 HD12 ' SG ' ' A' ' 68' ' ' CYS . 10.8 mt -40.71 147.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.1 p -96.3 -155.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' A' ' 32' ' ' LEU . 41.6 t -74.52 -51.74 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.7 t -49.86 -60.84 2.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -47.31 -71.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.337 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.855 HG11 HD13 ' A' ' 60' ' ' ILE . 75.9 t -41.97 -59.18 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 76' ' ' VAL . 4.0 mmt -37.22 -55.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -42.98 95.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.606 HD21 HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -59.25 -24.24 63.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' VAL . 5.5 mt -90.47 -51.83 5.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 70.4 mttt -55.37 -48.27 74.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.5 t -45.14 -36.94 4.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 23.5 m-85 -97.03 40.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.08 124.2 35.33 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.588 ' HA2' HG23 ' A' ' 22' ' ' THR . . . 44.87 43.05 8.13 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -117.15 -3.66 11.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 60.65 111.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.489 HG11 ' CB ' ' A' ' 83' ' ' PHE . 5.6 m -134.68 172.26 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 19' ' ' ILE . 0.6 OUTLIER -116.84 105.42 12.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.293 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.466 ' HE2' ' HB3' ' A' ' 90' ' ' MET . 18.3 ttp -91.65 134.16 34.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.6 OUTLIER -110.07 134.35 52.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.74 HG11 ' HB3' ' A' ' 58' ' ' ASP . 26.8 m -134.94 143.72 36.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.408 HG12 ' C ' ' A' ' 15' ' ' PRO . 1.4 m -118.27 163.08 15.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.31 146.09 27.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.497 ' HB2' ' CZ3' ' A' ' 13' ' ' TRP . 24.4 tp -98.67 121.14 40.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -112.29 126.39 55.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -172.23 157.95 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.37 -60.56 2.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.012 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 92.9 m 60.19 148.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.405 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.23 141.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.3 t -175.52 102.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 4.8 ttt -149.96 160.06 43.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 22.5 t-80 -160.9 137.49 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.573 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -170.16 141.3 2.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -109.28 -65.81 1.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.32 169.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.053 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 150.66 85.51 0.05 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 166.73 28.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.443 1.76 . . . . 0.0 110.966 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 82.7 p -92.93 169.62 10.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.9 t -146.33 133.91 20.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.001 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -168.43 158.53 9.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 110.011 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.47 115.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.004 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.74 -132.18 10.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -176.12 127.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 110.007 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -177.97 145.75 0.39 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.89 151.51 12.45 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.1 m -170.0 122.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 110.017 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 55.63 82.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.345 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.52 94.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.5 mttp -71.59 124.77 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' O ' HD22 ' A' ' 96' ' ' LEU . 1.1 tmt_? -82.11 125.39 30.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -109.72 156.57 20.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.022 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.522 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -92.52 179.33 1.36 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.002 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.522 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.2 Cg_endo -75.0 149.33 36.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -74.95 138.12 22.73 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' NH1' ' CG2' ' A' ' 92' ' ' VAL . 1.0 OUTLIER -87.08 174.26 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.38 86.92 0.31 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.775 HD13 ' HB2' ' A' ' 54' ' ' ALA . 7.4 mt -89.62 149.41 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.3 110.72 9.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.59 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.564 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 13.4 p90 -154.97 176.22 12.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -113.99 112.27 23.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.392 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.545 HG13 HD21 ' A' ' 28' ' ' LEU . 54.2 t -49.49 135.67 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 2.7 tt0 -108.43 113.44 26.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -85.26 13.69 6.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.279 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 27' ' ' ASP . . . -126.43 -4.51 6.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 24' ' ' GLU . 1.8 t70 174.17 66.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.545 HD21 HG13 ' A' ' 23' ' ' VAL . 15.9 mt -37.35 -37.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.18 -35.41 4.38 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.42 1.075 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -126.07 -171.9 2.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.776 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.799 ' O ' HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -144.08 176.33 9.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.372 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.799 HD23 ' O ' ' A' ' 31' ' ' THR . 21.1 mt -129.32 122.22 29.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.12 161.53 39.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.34 -164.65 25.86 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -97.03 -175.56 3.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 0.75 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.542 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.9 t -89.88 140.94 27.84 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -74.99 132.33 27.22 Favored 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 120.998 -2.501 . . . . 0.0 110.994 -0.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.461 ' N ' ' HA ' ' A' ' 36' ' ' THR . 15.7 m -52.72 147.71 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.538 ' OE1' ' CE2' ' A' ' 59' ' ' TYR . 2.2 mt-30 -107.09 166.03 10.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.293 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.4 t -102.67 126.75 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -113.05 76.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.618 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 2.2 m-85 -39.97 124.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.494 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.5 mt -104.87 -29.73 10.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.8 134.37 25.59 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -6.64 18.27 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -128.14 53.98 1.76 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.594 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.7 p -105.01 153.8 20.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 52' ' ' ALA . 16.7 m -45.25 -58.4 3.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.953 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.699 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -44.12 -60.88 1.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.465 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 38.9 t -53.62 -49.8 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.972 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.85 -18.76 46.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.323 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 49' ' ' ALA . . . -76.65 -58.14 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 146.9 50.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.158 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.775 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -118.54 153.54 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -130.36 139.94 50.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -41.42 125.45 2.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 110.1 24.73 5.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 111.022 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.817 ' HB3' HG21 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -87.51 122.53 31.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 0.757 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.538 ' CE2' ' OE1' ' A' ' 39' ' ' GLN . 7.4 m-85 -100.13 96.96 7.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.493 HG21 HD11 ' A' ' 63' ' ' ILE . 57.2 mt -48.65 96.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.595 HG23 ' HG3' ' A' ' 69' ' ' LYS . 3.1 p -87.39 -28.31 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 36.3 m -168.77 155.24 6.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.493 HD11 HG21 ' A' ' 60' ' ' ILE . 48.7 mt -132.5 118.25 34.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 73.82 -57.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.38 37.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 62' ' ' SER . 64.6 t -124.64 146.34 30.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.531 0.783 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.86 115.73 18.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 61.7 m -122.3 45.49 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.297 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.595 ' HG3' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -101.97 -14.64 17.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 18.2 m95 -114.33 -43.68 3.18 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.426 ' CD1' HD13 ' A' ' 79' ' ' LEU . 19.3 mt -40.31 151.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.412 HG23 ' OE1' ' A' ' 75' ' ' GLU . 26.2 p -94.74 -158.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.406 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.438 ' HA ' HG11 ' A' ' 38' ' ' VAL . 33.5 t -73.59 -46.77 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 41.6 t -58.33 -61.68 2.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.999 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.412 ' OE1' HG23 ' A' ' 72' ' ' THR . 0.4 OUTLIER -40.75 -69.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 79' ' ' LEU . 72.0 t -44.33 -58.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -38.42 -43.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 111.03 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -73.57 -44.45 57.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.471 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -56.61 -25.86 54.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HG ' HD13 ' A' ' 63' ' ' ILE . 6.0 mt -86.54 -46.65 9.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.9 mttt -53.73 -50.1 66.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.2 t -45.01 -47.56 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.691 ' HB3' HG11 ' A' ' 88' ' ' VAL . 28.8 m-85 -88.69 40.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -72.46 124.04 9.51 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.16 35.89 84.2 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.866 ' O ' HG13 ' A' ' 88' ' ' VAL . 6.6 mt-10 -141.0 122.09 14.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -52.99 115.29 1.78 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.866 HG13 ' O ' ' A' ' 86' ' ' GLU . 11.3 m -124.76 164.88 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -111.11 104.07 12.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.444 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 30.6 ttp -91.54 137.18 32.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -123.23 133.36 54.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.817 HG21 ' HB3' ' A' ' 58' ' ' ASP . 29.4 m -136.24 146.09 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.44 HG12 ' C ' ' A' ' 15' ' ' PRO . 2.4 m -118.07 143.38 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.28 138.56 31.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.929 ' C ' HD13 ' A' ' 96' ' ' LEU . 28.9 tp -90.49 131.17 36.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.929 HD13 ' C ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -121.93 124.29 43.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -114.86 155.39 26.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 p -89.15 176.11 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.016 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 20.8 m 55.58 91.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.394 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 75.1 p -60.18 168.17 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.93 121.24 44.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.23 122.02 4.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.25 134.11 2.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.582 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 175.18 165.95 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -126.91 170.45 12.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 71.8 p -160.54 126.98 4.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.968 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -153.85 93.1 0.13 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 111.044 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -179.17 4.74 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 110.948 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.0 145.92 44.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.975 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.7 m -158.71 156.37 29.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.013 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 p 55.68 167.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.013 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.52 143.1 5.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.75 97.45 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.69 99.15 11.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 0.792 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 t -115.09 104.09 11.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.18 -138.74 8.16 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.27 121.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 0.798 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -135.65 102.01 4.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -134.36 150.63 50.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.997 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' O ' ' O ' ' A' ' 10' ' ' SER . 0.7 OUTLIER 38.62 -158.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.6 132.56 21.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -125.81 148.03 49.25 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.525 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -79.54 179.45 1.82 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.043 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.525 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -75.0 147.4 33.86 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.548 1.814 . . . . 0.0 110.984 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.4 Cg_endo -75.0 146.31 32.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.565 ' HG3' HG22 ' A' ' 92' ' ' VAL . 1.8 ptp180 -109.07 130.13 55.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.82 99.45 2.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.544 HD13 ' HB2' ' A' ' 54' ' ' ALA . 3.6 mt -89.15 150.77 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -134.12 110.31 9.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.577 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.688 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 24.0 p90 -157.07 172.82 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.3 m -112.75 108.06 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.41 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.4 HG13 HD21 ' A' ' 28' ' ' LEU . 55.6 t -42.92 154.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -114.78 101.27 8.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -79.57 51.94 1.34 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.347 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.03 -39.88 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -151.42 77.41 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 28' ' ' LEU . 17.9 mt -46.27 -35.59 5.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.1 -36.13 3.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -121.42 179.2 4.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 110.984 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -136.52 176.72 8.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.521 ' N ' ' OG1' ' A' ' 31' ' ' THR . 89.1 mt -119.46 128.19 53.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.31 159.87 33.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.19 -167.63 33.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.84 -73.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.753 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.551 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 2.6 t -174.4 140.78 0.74 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.393 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.3 Cg_endo -74.98 132.25 26.94 Favored 'Cis proline' 0 C--N 1.359 1.103 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.007 -0.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.461 ' N ' ' HA ' ' A' ' 36' ' ' THR . 16.2 m -55.22 144.98 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.464 ' HG3' ' CD2' ' A' ' 59' ' ' TYR . 2.4 mt-30 -99.92 -174.11 2.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.423 ' CG2' ' HB2' ' A' ' 58' ' ' ASP . 20.5 t -120.77 117.58 53.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -105.89 94.88 5.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.553 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 4.4 m-85 -63.37 118.83 8.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 43' ' ' LEU . 12.3 mt -108.37 -24.1 11.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -130.08 133.67 25.24 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -28.07 9.38 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.405 ' O ' ' O ' ' A' ' 47' ' ' CYS . 1.3 m80 -99.56 27.08 5.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.155 . . . . 0.0 109.597 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.416 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.6 p -61.32 -119.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 108.314 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.7 p -149.99 -46.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.113 . . . . 0.0 110.039 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.623 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -60.97 -48.51 81.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.55 ' HB2' ' CE1' ' A' ' 42' ' ' PHE . 1.8 t -59.71 -47.05 87.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 47' ' ' CYS . 42.2 mt -57.88 -25.67 61.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.688 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -67.55 -59.65 3.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 148.3 44.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.591 ' HB1' ' OD2' ' A' ' 58' ' ' ASP . . . -105.35 -168.99 1.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 0.751 . . . . 0.0 109.252 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.407 ' O ' ' OD1' ' A' ' 58' ' ' ASP . 5.2 mtmm -144.46 -171.34 3.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -92.83 113.52 25.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.589 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 116.0 4.1 19.05 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.127 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.591 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 3.4 m-20 -50.85 113.01 0.8 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.77 . . . . 0.0 109.271 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 88.0 m-85 -88.82 97.31 11.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 111.058 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.569 HG21 HD11 ' A' ' 63' ' ' ILE . 2.9 mt -50.7 95.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.478 HG23 ' HG3' ' A' ' 69' ' ' LYS . 2.9 p -87.61 -27.93 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 68.2 m -161.35 167.95 24.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.803 ' H ' HG12 ' A' ' 66' ' ' VAL . 47.1 mt -150.23 108.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.18 2.76 3.99 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.04 14.3 12.27 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.803 HG12 ' H ' ' A' ' 63' ' ' ILE . 4.3 p -86.59 -178.16 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.745 ' H ' HG22 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -114.32 94.99 5.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.463 ' SG ' HD12 ' A' ' 71' ' ' LEU . 48.4 m -108.47 38.44 2.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 108.262 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.478 ' HG3' HG23 ' A' ' 61' ' ' VAL . 1.4 ttmt -96.56 -17.72 20.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 25.7 m95 -113.59 -40.41 3.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.463 HD12 ' SG ' ' A' ' 68' ' ' CYS . 14.6 mt -40.71 152.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 45.4 p -94.05 -144.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 43.9 t -88.86 -46.53 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.1 t -61.24 -52.65 63.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.46 -70.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 79' ' ' LEU . 78.8 t -42.45 -57.35 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 76' ' ' VAL . 1.7 mmt -37.3 -48.93 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -45.45 72.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.779 ' CD2' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -53.54 -30.69 43.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mt -83.23 -45.18 14.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -56.82 -49.93 73.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.4 t -47.69 -35.81 10.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.712 ' HB3' HG11 ' A' ' 88' ' ' VAL . 21.9 m-85 -100.12 39.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.02 128.5 11.89 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 65.32 28.76 73.93 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.706 ' O ' HG13 ' A' ' 88' ' ' VAL . 7.1 mt-10 -134.01 122.95 23.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.17 116.31 3.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.712 HG11 ' HB3' ' A' ' 83' ' ' PHE . 16.4 m -125.56 165.76 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -110.63 100.76 9.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.254 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.445 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 32.1 ttp -91.65 131.44 37.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.72 136.57 50.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.565 HG22 ' HG3' ' A' ' 17' ' ' ARG . 27.3 m -138.48 140.89 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.403 HG22 ' HB ' ' A' ' 61' ' ' VAL . 0.6 OUTLIER -118.17 143.34 29.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.143 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.61 137.13 33.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.491 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -73.34 104.66 4.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 14' ' ' SER . 2.9 mp -75.73 -166.16 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -176.91 153.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -46.3 166.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.081 . . . . 0.0 110.018 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.5 m -106.84 116.75 32.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.31 135.52 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.86 119.58 11.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.01 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.16 164.46 37.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.0 p-80 -175.75 134.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.152 . . . . 0.0 109.599 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -124.12 149.73 45.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.93 144.87 22.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.95 150.14 22.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -153.96 97.01 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.68 5.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 93.5 p -167.03 168.74 13.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.8 m 59.64 155.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.8 p -108.6 122.28 46.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 109.989 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.91 152.76 41.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.87 -157.2 14.9 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.88 112.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 0.773 . . . . 0.0 109.998 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.85 141.74 32.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.6 -159.85 10.68 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.1 p -79.44 157.35 27.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 0.731 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -76.59 90.36 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.3 p -171.5 149.39 2.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.959 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -69.61 155.1 41.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.363 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -138.67 124.79 20.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.441 ' CZ2' ' HG ' ' A' ' 95' ' ' LEU . 39.9 m95 -113.22 128.25 56.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 107.993 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.552 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.8 OUTLIER -64.1 -178.75 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.993 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.552 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.4 Cg_endo -75.02 147.27 33.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.427 ' HA ' HG13 ' A' ' 93' ' ' VAL . 18.4 Cg_endo -74.92 141.72 27.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.523 1.801 . . . . 0.0 111.038 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.55 ' HD2' HD11 ' A' ' 19' ' ' ILE . 11.8 ptp180 -91.7 155.85 18.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.15 105.95 2.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.55 HD11 ' HD2' ' A' ' 17' ' ' ARG . 9.1 mt -100.26 152.34 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 0.747 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -140.52 111.27 6.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.789 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 28.1 p90 -154.65 175.91 13.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.499 HG23 ' HA2' ' A' ' 85' ' ' GLY . 1.4 m -113.13 123.3 49.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.759 HG12 ' H ' ' A' ' 25' ' ' GLU . 91.8 t -63.24 128.9 26.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.7 mp0 -81.33 -3.74 53.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.275 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.759 ' H ' HG12 ' A' ' 23' ' ' VAL . 2.0 pt-20 30.46 56.98 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 122.8 45.57 0.3 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' CB ' ' HB3' ' A' ' 24' ' ' GLU . 0.6 OUTLIER 173.31 40.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.2 mt -79.76 137.23 36.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.423 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . -90.6 35.07 3.95 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -170.35 172.77 5.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.564 HG22 HD11 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -136.55 177.36 7.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.339 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.959 ' HB2' HG13 ' A' ' 73' ' ' VAL . 79.1 mt -116.87 131.85 56.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -137.94 152.29 48.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.52 -177.04 38.83 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -85.9 -86.04 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 0.757 . . . . 0.0 109.263 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.538 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 9.6 t -166.67 139.19 3.0 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.4 Cg_endo -74.98 133.06 29.71 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 120.974 -2.511 . . . . 0.0 111.013 -0.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.503 HG23 HD12 ' A' ' 60' ' ' ILE . 28.8 m -56.67 153.65 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -100.68 175.3 5.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.9 t -116.21 105.61 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.402 ' O ' ' C ' ' A' ' 42' ' ' PHE . 38.5 t60 -97.11 68.99 2.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.571 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.712 ' HZ ' ' HB3' ' A' ' 54' ' ' ALA . 1.2 m-85 -37.09 140.36 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.564 HD11 HG22 ' A' ' 31' ' ' THR . 40.3 mt -115.22 -41.18 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.579 1.175 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.91 123.8 28.25 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.09 9.33 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.472 1.775 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -126.6 55.16 1.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.601 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.423 ' CB ' ' HA3' ' A' ' 29' ' ' GLY . 25.4 p -122.05 159.7 26.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 108.353 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -45.74 -63.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.96 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.777 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -39.6 -66.04 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 t -51.63 -50.37 60.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.958 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.4 mt -57.16 -21.71 34.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.789 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -67.91 -52.46 36.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.28 42.99 0.1 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.716 ' HB1' ' OD2' ' A' ' 58' ' ' ASP . . . -96.75 -165.46 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.29 156.35 16.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.24 120.48 14.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.613 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 115.11 1.69 22.18 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.449 1.093 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.716 ' OD2' ' HB1' ' A' ' 54' ' ' ALA . 90.8 m-20 -61.9 130.87 47.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 0.782 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.613 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 54.1 m-85 -104.82 97.17 7.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 111.05 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.514 HG22 ' HB3' ' A' ' 68' ' ' CYS . 26.6 mt -48.3 99.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.477 HG23 ' HG3' ' A' ' 69' ' ' LYS . 2.0 p -88.83 -43.32 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.457 ' HA ' ' O ' ' A' ' 66' ' ' VAL . 3.0 m -152.75 165.0 36.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.986 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.479 HD13 ' HG ' ' A' ' 80' ' ' LEU . 55.3 mt -143.89 114.1 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 71.66 5.61 5.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.262 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.22 12.68 24.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 62' ' ' SER . 23.7 t -103.41 134.0 45.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.34 122.89 15.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.514 ' HB3' HG22 ' A' ' 60' ' ' ILE . 14.4 m -127.38 5.13 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 108.338 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.477 ' HG3' HG23 ' A' ' 61' ' ' VAL . 1.2 ttmt -82.05 -9.76 59.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -108.71 -34.49 6.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 108.019 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.9 mt -59.62 165.04 3.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.5 p -97.17 -146.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.959 HG13 ' HB2' ' A' ' 32' ' ' LEU . 39.5 t -90.31 -35.26 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.68 -57.89 3.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.026 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -43.28 -52.87 5.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 79' ' ' LEU . 79.2 t -58.71 -57.23 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.497 ' HG2' HD12 ' A' ' 32' ' ' LEU . 2.5 mmt -41.53 -37.36 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.44 -43.33 56.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -61.31 -26.36 67.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.251 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.479 ' HG ' HD13 ' A' ' 63' ' ' ILE . 4.8 mt -84.5 -45.37 12.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -62.05 -47.03 86.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -47.04 -31.72 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.596 ' CD2' ' O ' ' A' ' 79' ' ' LEU . 19.5 m-85 -100.02 40.96 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.013 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.441 ' CA ' ' HB3' ' A' ' 25' ' ' GLU . . . -62.82 117.74 12.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.499 ' HA2' HG23 ' A' ' 22' ' ' THR . . . 52.38 44.8 58.74 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 87' ' ' GLU . 32.8 mt-10 -122.54 -4.26 8.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 0.781 . . . . 0.0 110.254 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 86' ' ' GLU . 3.7 tt0 58.51 116.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 83' ' ' PHE . 2.6 m -135.69 178.75 4.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' CG ' ' O ' ' A' ' 19' ' ' ILE . 3.3 mt-10 -121.67 107.25 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.237 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.533 ' HE2' ' HB3' ' A' ' 90' ' ' MET . 8.0 ttp -91.38 131.05 37.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -109.35 135.62 50.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.666 HG11 ' HB3' ' A' ' 58' ' ' ASP . 30.1 m -138.24 144.05 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.427 HG13 ' HA ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -121.27 140.77 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.11 135.06 34.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.598 HD12 ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -73.21 112.65 9.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.5 mp -91.97 10.12 30.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.481 ' H ' HD23 ' A' ' 95' ' ' LEU . 5.1 t70 -104.89 161.13 14.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.65 -60.12 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.3 m 47.09 96.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.42 -53.86 5.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.996 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 50.1 62.33 2.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.959 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -96.29 140.96 30.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 147.57 50.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.561 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -146.1 122.03 10.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.248 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.25 165.12 28.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 80.5 p -110.45 157.13 19.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.008 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.67 -170.55 0.27 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 112.23 3.51 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.536 1.808 . . . . 0.0 110.995 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.2 92.14 1.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.04 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.24 -74.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.035 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.54 79.11 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 110.059 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.78 161.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.029 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.64 169.66 37.25 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 p -128.35 168.71 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 110.033 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.0 p -55.45 157.28 3.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.94 -94.45 2.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.12 81.36 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.957 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 41.94 80.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -98.26 133.91 42.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.83 136.43 56.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -124.72 145.6 49.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.283 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.559 ' CH2' ' HG ' ' A' ' 95' ' ' LEU . 39.8 m95 -123.92 142.54 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.503 ' CB ' ' CD ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -74.52 177.98 1.94 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.503 ' CD ' ' CB ' ' A' ' 14' ' ' SER . 18.3 Cg_endo -74.94 148.46 35.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.462 ' HA ' ' O ' ' A' ' 92' ' ' VAL . 18.3 Cg_endo -75.0 148.7 35.63 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.718 ' HG3' HG22 ' A' ' 92' ' ' VAL . 1.6 ptp85 -112.59 130.84 55.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.21 103.48 2.15 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.773 HD13 ' HB2' ' A' ' 54' ' ' ALA . 9.7 mt -92.29 151.09 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -135.02 110.37 9.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.546 ' HB3' ' HB2' ' A' ' 52' ' ' ALA . 34.0 p90 -157.07 176.5 12.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -116.78 107.99 15.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.36 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.577 HG13 HD21 ' A' ' 28' ' ' LEU . 66.5 t -42.19 145.31 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.565 1.165 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -105.5 96.16 6.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -74.76 53.87 0.6 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.3 -37.71 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.419 1.074 . . . . 0.0 110.989 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -149.52 79.06 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.577 HD21 HG13 ' A' ' 23' ' ' VAL . 11.8 mt -54.04 -38.81 65.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.403 ' HA3' ' CB ' ' A' ' 47' ' ' CYS . . . 86.1 3.21 85.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.546 1.154 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.8 p90 -162.4 160.72 26.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.521 ' OG1' ' N ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -124.39 176.77 6.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.409 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.591 ' HB2' HG13 ' A' ' 73' ' ' VAL . 83.0 mt -118.77 136.85 53.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.485 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 27.0 mtp85 -86.85 152.68 22.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 110.272 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.542 ' O ' ' CB ' ' A' ' 35' ' ' ASN . . . -73.29 112.86 4.04 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.542 ' CB ' ' O ' ' A' ' 34' ' ' GLY . 1.3 m120 153.3 -176.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.528 ' HA ' ' C ' ' A' ' 37' ' ' PRO . 1.9 p -153.55 132.79 7.08 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 36' ' ' THR . 18.2 Cg_endo -74.97 130.65 21.82 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.037 -2.485 . . . . 0.0 111.006 -0.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 35' ' ' ASN . 29.0 m -47.13 160.03 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 57' ' ' GLY . 29.2 mt-30 -117.1 164.09 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.5 t -101.1 117.86 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -103.7 63.85 0.79 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 109.579 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.464 ' HE1' ' HB3' ' A' ' 49' ' ' ALA . 2.7 m-85 -39.55 133.13 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.6 mt -111.28 -35.34 5.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -126.21 123.08 24.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.06 8.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 111.009 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -132.34 40.16 3.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 48' ' ' SER . 11.9 p -90.09 -48.56 7.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.296 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.571 ' HA ' HD12 ' A' ' 51' ' ' LEU . 1.0 OUTLIER 158.32 -67.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' HB3' ' HE1' ' A' ' 42' ' ' PHE . . . -40.41 -45.53 2.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -45.63 91.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 48' ' ' SER . 1.3 mt -66.26 -28.97 69.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 21' ' ' PHE . . . -63.07 -60.71 3.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.83 43.91 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.773 ' HB2' HD13 ' A' ' 19' ' ' ILE . . . -119.65 171.75 8.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 0.74 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -139.31 -178.04 5.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -83.43 148.02 27.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.584 ' O ' ' CE1' ' A' ' 59' ' ' TYR . . . 79.46 -1.16 78.2 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -51.96 134.12 32.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.584 ' CE1' ' O ' ' A' ' 57' ' ' GLY . 20.0 m-85 -105.36 99.63 9.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' CYS . 2.7 mt -60.73 131.56 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 68' ' ' CYS . 4.1 m -112.08 -37.55 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.6 m -149.97 155.46 40.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.719 HD13 ' HG ' ' A' ' 80' ' ' LEU . 50.1 mt -133.08 99.54 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 63' ' ' ILE . 0.3 OUTLIER 77.25 -1.85 2.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 133.71 -29.48 3.11 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.959 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.836 HG21 HD11 ' A' ' 79' ' ' LEU . 4.4 p -50.37 177.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 0.732 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.648 ' H ' HG22 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -113.55 101.01 8.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' VAL . 62.9 m -113.29 54.29 0.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.289 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.03 -27.76 9.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.473 ' O ' HG21 ' A' ' 36' ' ' THR . 39.8 m95 -112.6 -36.41 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.426 HD22 ' CD ' ' A' ' 75' ' ' GLU . 25.2 mt -39.78 152.25 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.64 ' O ' HG23 ' A' ' 76' ' ' VAL . 27.5 p -91.83 -159.93 0.69 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.591 HG13 ' HB2' ' A' ' 32' ' ' LEU . 6.7 t -74.34 -48.17 37.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.0 t -55.57 -64.06 0.97 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.426 ' CD ' HD22 ' A' ' 71' ' ' LEU . 2.2 mt-10 -42.11 -58.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.34 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 72' ' ' THR . 66.1 t -56.65 -51.25 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 5.5 mmt -49.35 -46.52 47.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.58 -39.01 70.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.836 HD11 HG21 ' A' ' 66' ' ' VAL . 0.3 OUTLIER -61.5 -34.41 75.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.719 ' HG ' HD13 ' A' ' 63' ' ' ILE . 3.2 mt -83.45 -46.7 12.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -52.12 -52.43 51.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.2 t -45.86 -39.7 8.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.98 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.445 ' HB3' HG11 ' A' ' 88' ' ' VAL . 20.5 m-85 -88.75 34.57 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 81' ' ' LYS . . . -67.84 125.28 22.22 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 68.76 25.34 75.21 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.682 ' O ' HG13 ' A' ' 88' ' ' VAL . 8.1 mt-10 -130.55 123.66 30.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 110.254 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -61.01 124.68 21.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 86' ' ' GLU . 3.0 m -130.88 179.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -123.36 101.19 7.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.445 ' HB3' ' HE2' ' A' ' 90' ' ' MET . 30.4 ttp -91.96 138.62 31.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.025 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -117.29 128.31 54.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.718 HG22 ' HG3' ' A' ' 17' ' ' ARG . 16.9 m -128.5 148.91 32.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -126.92 160.4 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.06 148.61 24.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.021 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.559 ' HG ' ' CH2' ' A' ' 13' ' ' TRP . 0.7 OUTLIER -97.74 112.8 24.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.567 HD22 ' N ' ' A' ' 96' ' ' LEU . 2.0 mm? -90.09 -167.27 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.1 t0 171.66 161.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 m -49.18 162.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.2 t -121.71 26.52 8.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 m -85.79 157.04 20.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.019 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.6 t -166.5 151.2 7.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.979 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 6.9 mtt 58.05 161.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.93 114.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -128.45 -57.15 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.07 154.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.4 p -130.59 170.53 14.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.013 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.23 157.52 40.88 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 157.15 43.04 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 110.98 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.44 133.71 55.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.955 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -175.64 -58.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.975 . . . . . . . . 0 0 . 1 stop_ save_