data_1ujr_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 1ujr _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 ' 30' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 8.1 p90 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.493 0.187 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.76 155.09 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.579 ' CH2' HD22 ' A' ' 75' ' ' LEU . 38.7 m95 -100.09 144.11 29.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 13.6 m-85 -124.26 127.08 47.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.405 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 28.6 p90 -107.79 136.88 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -48.34 144.1 4.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -143.4 -142.84 4.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -68.43 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -55.41 -50.7 69.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.07 -79.76 0.05 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -129.83 152.45 49.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.405 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 23.4 m95 -130.69 144.92 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 108.001 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.498 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 1.1 tt0 -89.02 135.87 33.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -62.48 -170.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.97 -68.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 178.29 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -80.31 -50.5 10.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 m -44.53 -31.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.354 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.8 p -84.09 -38.58 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -49.54 -22.86 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -86.89 -38.7 16.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.21 -30.93 71.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.563 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -84.36 -49.79 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.26 -48.79 67.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.39 -59.73 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.419 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 9.8 t80 -48.44 -51.19 28.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -62.42 -60.83 2.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -41.2 -39.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.9 -8.48 6.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -57.51 140.16 51.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 0.0 109.256 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.414 ' HB3' ' CG ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -95.76 -47.25 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -122.23 123.62 41.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -117.43 132.07 56.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -96.32 130.82 43.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.476 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 6.9 ptp -123.44 146.62 47.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 tp -117.4 106.43 13.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' A' ' 68' ' ' GLY . 3.8 mt -87.77 177.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.54 92.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 51.59 46.91 53.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.665 ' CD1' ' CE2' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -149.33 106.93 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 111.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 83' ' ' ARG . 4.6 mm? -76.2 107.95 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.665 ' CE2' ' CD1' ' A' ' 69' ' ' PHE . 15.6 m-85 -118.86 153.28 34.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.537 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 21.4 t -132.04 119.34 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.476 ' HB1' ' CE ' ' A' ' 64' ' ' MET . . . -102.8 126.34 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.401 ' OD2' ' OH ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -110.78 117.02 32.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.579 HD22 ' CH2' ' A' ' 32' ' ' TRP . 18.3 mt -79.51 -25.17 41.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 1.8 mm-40 -51.91 -49.27 63.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -101.46 -4.93 25.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.69 48.44 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.06 -174.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -153.08 126.81 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.537 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 3.5 p90 -123.73 155.81 37.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.554 ' NH1' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -67.93 131.4 45.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.493 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -44.34 -59.04 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -81.58 -49.22 10.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -85.21 78.72 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -57.48 -33.32 67.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.83 -56.87 21.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -64.51 112.5 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -159.27 158.27 32.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -140.66 168.2 20.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -88.87 157.68 18.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.9 pt -135.42 147.07 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -145.65 134.35 22.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -85.69 118.19 25.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -118.78 161.61 19.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.3 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.466 ' CD2' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.48 0.181 . . . . 0.0 111.042 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.55 119.64 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.578 ' CZ2' ' HD3' ' A' ' 94' ' ' ARG . 27.6 m95 -88.95 127.33 35.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.013 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -112.23 160.44 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 21.6 p90 -143.53 147.79 35.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -42.29 120.55 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.416 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -115.06 -160.33 12.73 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.575 1.172 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.74 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -66.52 -44.48 82.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -159.44 -106.36 0.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -113.34 129.67 56.47 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.556 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 10.4 m95 -101.82 150.88 22.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.056 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.37 164.03 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.538 ' CD1' HG21 ' A' ' 47' ' ' THR . 60.6 m-85 -90.31 178.34 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.73 -65.86 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 176.95 -51.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' THR . 18.5 mtm180 -67.91 -53.2 28.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.538 HG21 ' CD1' ' A' ' 43' ' ' TYR . 3.3 m -38.43 -45.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' LEU . 70.6 p -70.54 -48.26 56.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -46.61 -25.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -89.02 -34.76 16.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 32' ' ' TRP . 89.2 mt -62.16 -47.4 84.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.466 ' HG3' ' CD2' ' A' ' 30' ' ' TYR . 7.6 tm-20 -64.2 -58.22 7.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.45 -52.47 13.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.92 -70.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.434 ' CE2' ' CZ ' ' A' ' 94' ' ' ARG . 11.0 t80 -38.34 -49.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.7 t -65.2 -60.57 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -45.03 -44.31 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.14 -17.82 4.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -49.91 100.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -60.3 -42.61 95.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -123.68 119.67 30.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.9 t -108.79 121.78 45.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.48 128.7 35.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.46 130.05 49.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tp -98.1 103.76 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.553 HG13 ' CD2' ' A' ' 71' ' ' TYR . 14.5 mm -80.57 169.71 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.435 ' N ' ' CG2' ' A' ' 66' ' ' ILE . . . -45.84 91.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 58.67 44.76 95.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.512 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 6.1 m-85 -155.78 100.97 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.481 ' HB3' ' CB ' ' A' ' 83' ' ' ARG . 4.6 mm? -68.11 111.08 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.553 ' CD2' HG13 ' A' ' 66' ' ' ILE . 10.6 m-85 -118.07 152.96 34.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.569 HG11 ' CE1' ' A' ' 81' ' ' TYR . 66.9 t -134.47 115.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.65 111.23 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.442 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.7 t0 -96.85 110.97 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.569 HD22 ' CH2' ' A' ' 32' ' ' TRP . 43.6 mt -77.44 -32.77 54.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -47.19 -46.62 23.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 78' ' ' MET . 31.3 m120 -102.42 -4.87 24.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.487 ' C ' HG13 ' A' ' 79' ' ' VAL . 0.0 OUTLIER 63.61 36.19 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.487 HG13 ' C ' ' A' ' 78' ' ' MET . 17.2 m -138.54 146.83 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.464 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 3.3 pt20 -113.47 126.09 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.569 ' CE1' HG11 ' A' ' 72' ' ' VAL . 5.2 p90 -123.69 153.77 40.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.28 131.8 46.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.481 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -45.13 -63.46 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -68.53 -57.73 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -86.65 82.83 7.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -59.57 -33.47 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.586 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.83 -54.91 26.04 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -65.21 111.07 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.442 ' NH2' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -151.49 163.13 39.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 mmt-85 -142.77 152.48 42.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 150.78 45.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.464 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 6.1 pt -138.51 152.19 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.435 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.7 OUTLIER -151.06 162.39 40.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.578 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 3.1 ttp-105 -110.97 114.85 28.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -122.2 178.96 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 pt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.266 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 4.5 p90 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.491 0.186 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.09 147.24 41.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.547 ' CZ3' HD13 ' A' ' 75' ' ' LEU . 52.1 m95 -101.18 153.73 19.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 19.2 m-85 -143.87 129.77 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 23.9 p90 -105.35 142.77 34.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.48 112.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.7 176.04 16.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.127 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -61.33 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.798 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -56.87 -25.48 56.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.53 -65.04 0.38 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -139.79 136.96 34.62 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.422 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 14.4 m95 -125.21 147.67 48.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.8 tt0 -90.88 161.68 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -90.77 -174.21 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.17 -77.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -178.8 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' ARG . 15.2 mmt180 -77.88 -54.85 5.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 m -40.94 -31.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.7 p -85.34 -43.15 13.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' ARG . 3.9 mtt-85 -49.89 -27.82 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -80.44 -31.32 37.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.22 -40.42 90.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 3.3 tp10 -69.89 -58.96 3.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.335 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -42.62 -46.78 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.476 ' CA ' ' HB2' ' A' ' 59' ' ' LYS . . . -69.46 -53.8 17.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.432 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 22.9 t80 -49.59 -44.25 46.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.9 t -72.43 -62.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -40.43 -35.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.66 -9.82 7.64 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HB2' ' CA ' ' A' ' 54' ' ' ALA . 27.1 mttm -53.86 97.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.416 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 1.8 mptt -50.09 -23.19 1.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.48 ' CB ' ' HA ' ' A' ' 74' ' ' ASP . 19.3 p30 -166.15 154.53 10.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -131.09 150.5 52.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -98.95 127.26 44.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.408 ' HE3' ' NE2' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -122.02 152.73 39.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.447 ' CD1' HD23 ' A' ' 70' ' ' LEU . 2.0 tp -116.78 105.17 12.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 71' ' ' TYR . 6.6 mm -86.81 174.38 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -40.42 92.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 48.71 49.23 28.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.495 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.0 m-85 -155.36 111.21 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.472 ' HB3' ' CB ' ' A' ' 83' ' ' ARG . 4.6 mm? -73.0 113.22 9.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.592 ' CE1' ' HG2' ' A' ' 82' ' ' ARG . 11.6 m-85 -121.6 156.95 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 74.9 t -136.11 123.9 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.516 ' CB ' ' CG ' ' A' ' 80' ' ' GLN . . . -101.62 131.68 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.48 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 31.5 t0 -115.17 124.2 50.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.547 HD13 ' CZ3' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -91.35 -35.72 14.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.3 mt-10 -49.16 -45.51 43.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -102.65 -10.48 19.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.406 ' HB3' ' O ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER 62.73 53.63 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.46 ' CA ' HG12 ' A' ' 92' ' ' ILE . 3.1 m -149.64 143.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.516 ' CG ' ' CB ' ' A' ' 73' ' ' ALA . 3.0 mt-30 -109.53 121.38 45.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 6.1 p90 -126.53 148.44 49.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.592 ' HG2' ' CE1' ' A' ' 71' ' ' TYR . 1.3 mmt85 -59.44 140.36 56.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.472 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -49.85 -47.82 51.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -97.18 -55.21 2.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 4.9 mm-40 -69.56 57.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.436 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 3.3 t-160 -44.56 -31.36 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.649 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.44 -44.9 97.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.29 110.72 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.48 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 26.7 ptt85 -158.84 165.03 35.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 89' ' ' ARG . 3.2 mmt-85 -142.55 163.06 33.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -81.76 131.61 35.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.46 HG12 ' CA ' ' A' ' 79' ' ' VAL . 30.7 pt -117.68 144.1 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -137.62 165.72 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -123.28 122.77 39.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -128.55 169.04 14.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.1 mm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.604 ' CE2' ' OE1' ' A' ' 52' ' ' GLU . 18.6 p90 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.54 0.21 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.417 ' HB1' ' NE2' ' A' ' 42' ' ' GLN . . . -163.86 144.96 8.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CZ3' HD11 ' A' ' 75' ' ' LEU . 51.3 m95 -89.71 153.5 20.66 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -139.87 139.25 36.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -117.76 150.24 39.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.57 113.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -113.21 -173.77 18.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -63.38 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.58 -56.55 20.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.01 -70.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -134.41 135.13 42.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -126.65 160.31 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.417 ' NE2' ' HB1' ' A' ' 31' ' ' ALA . 1.2 tt0 -94.01 154.72 17.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.644 ' CE2' ' CD2' ' A' ' 51' ' ' LEU . 64.8 m-85 -74.69 -83.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 21.0 t0 -173.4 -65.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 6.1 tt0 161.98 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -73.9 -44.86 53.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.443 HG22 ' CD1' ' A' ' 51' ' ' LEU . 1.2 m -71.35 -64.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -37.81 -44.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.65 -29.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 48' ' ' SER . 8.9 mm-40 -94.45 -38.75 10.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.644 ' CD2' ' CE2' ' A' ' 43' ' ' TYR . 4.2 mp -48.5 -48.77 37.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.604 ' OE1' ' CE2' ' A' ' 30' ' ' TYR . 11.9 tp10 -73.54 -57.42 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -40.03 -51.55 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.472 ' CA ' ' HB2' ' A' ' 59' ' ' LYS . . . -68.38 -62.84 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -41.09 -38.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 58' ' ' GLY . 26.8 t -79.56 -61.07 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -43.26 -27.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 117.04 -8.04 16.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HB2' ' CA ' ' A' ' 54' ' ' ALA . 1.8 mttm -51.43 122.82 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.463 ' CD ' ' HG3' ' A' ' 76' ' ' GLU . 12.2 mmtt -66.45 -28.68 68.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.49 ' CB ' ' HA ' ' A' ' 74' ' ' ASP . 8.1 p30 -158.81 142.27 14.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.469 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 6.3 t -113.23 135.62 53.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -89.99 123.08 33.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.45 150.42 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 tp -113.63 104.69 12.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' A' ' 68' ' ' GLY . 20.6 mm -87.68 172.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.407 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -40.79 92.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 49.29 49.13 32.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.494 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 2.5 m-85 -156.57 111.2 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' HB3' ' CD ' ' A' ' 83' ' ' ARG . 4.5 mm? -73.45 113.21 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 69' ' ' PHE . 11.8 m-85 -119.85 156.7 30.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 44.9 t -135.78 116.51 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.64 109.71 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.572 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 2.9 t0 -91.93 126.41 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.516 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -94.11 -32.86 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.463 ' HG3' ' CD ' ' A' ' 60' ' ' LYS . 1.7 mt-10 -50.77 -44.13 58.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -101.43 -10.31 20.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.41 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 66.5 46.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.3 m -151.07 147.25 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.413 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 4.4 pt20 -112.48 131.68 55.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 2.8 p90 -129.94 156.94 43.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -67.91 160.51 28.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.46 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -75.22 -74.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -61.79 -41.11 97.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.86 68.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -27.35 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.626 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.39 -56.67 14.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -61.11 111.66 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.77 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 81' ' ' TYR . 3.6 ptm180 -148.1 154.4 40.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -142.89 150.5 39.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.92 142.93 41.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.466 HD12 ' CE3' ' A' ' 32' ' ' TRP . 20.4 pt -128.72 162.9 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -152.63 164.98 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.432 ' NH1' ' OE2' ' A' ' 52' ' ' GLU . 4.8 ttp180 -111.53 111.43 22.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -105.43 166.3 10.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.9 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 24.6 p90 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.492 0.187 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.12 157.18 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -99.89 154.77 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.028 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 43.2 m-85 -143.1 146.37 33.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 17.8 p90 -124.03 148.51 46.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' TYR . 36.1 tt0 -37.65 114.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.439 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -115.68 158.87 14.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.2 -50.93 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.76 -39.75 80.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.89 -64.16 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.501 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 91.9 m95 -134.38 129.17 34.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.449 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 6.5 m95 -115.84 144.88 43.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 108.015 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 4.6 tt0 -91.63 143.53 26.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.512 ' CE2' ' CD1' ' A' ' 51' ' ' LEU . 57.6 m-85 -68.08 169.17 10.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -56.64 -68.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 179.37 -41.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' THR . 1.3 ttt180 -71.9 -57.14 4.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.418 HG21 ' CD1' ' A' ' 43' ' ' TYR . 4.0 m -37.44 -50.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.371 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 49.4 m -63.89 -51.31 65.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -43.71 -27.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' SER . 8.5 mm-40 -91.67 -35.21 14.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.512 ' CD1' ' CE2' ' A' ' 43' ' ' TYR . 69.2 mt -64.59 -52.21 58.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -40.3 72.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.59 -59.49 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.85 -64.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -44.66 -52.14 8.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LYS . 5.8 t -61.1 -66.34 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' SER . 38.5 mtmt -39.92 -43.41 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.99 -7.91 6.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -52.35 140.04 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.34 -51.98 5.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -118.22 122.4 42.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.2 t -105.64 128.78 53.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.71 120.9 29.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.411 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -120.6 159.18 25.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 tt -125.69 104.33 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 68' ' ' GLY . 13.7 mm -83.4 170.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.433 ' N ' ' CG2' ' A' ' 66' ' ' ILE . . . -44.24 90.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 57.67 46.66 91.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.49 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 17.6 m-85 -159.42 97.46 1.35 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 0.754 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HG ' ' CD ' ' A' ' 83' ' ' ARG . 0.2 OUTLIER -66.72 110.46 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 82' ' ' ARG . 11.4 m-85 -114.22 163.24 15.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.415 ' CG2' ' HG3' ' A' ' 83' ' ' ARG . 47.3 t -139.26 117.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.431 ' HA ' ' CB ' ' A' ' 80' ' ' GLN . . . -91.46 118.72 30.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 9.7 t0 -102.05 103.38 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.68 -38.02 70.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -44.59 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -102.65 -12.06 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.422 ' O ' HG12 ' A' ' 79' ' ' VAL . 4.3 tpt 71.59 32.44 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 78' ' ' MET . 6.9 m -139.13 143.02 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.452 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 1.1 pt20 -111.61 133.93 53.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 3.2 p90 -130.48 154.44 47.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 2.6 ttm180 -70.04 140.25 52.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -53.88 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.61 -56.64 16.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.51 79.66 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -55.35 -32.41 62.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.627 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.95 -62.89 5.65 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.6 mmt-85 -53.61 112.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.437 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -154.59 167.47 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.62 158.74 41.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -78.94 146.95 33.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.452 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 13.0 pt -123.24 152.57 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.501 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -149.01 165.32 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.457 ' HD2' ' CD1' ' A' ' 30' ' ' TYR . 12.0 ttp180 -118.19 116.22 26.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -111.37 125.7 54.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 24.2 mm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 44.8 p90 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.544 0.211 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.74 148.01 32.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.576 ' CH2' HD22 ' A' ' 75' ' ' LEU . 77.7 m95 -99.61 130.05 45.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 107.995 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 20.6 m-85 -122.83 141.46 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 41' ' ' TRP . 21.8 p90 -112.78 135.26 53.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' CD ' ' A' ' 90' ' ' ARG . 0.2 OUTLIER -49.73 132.53 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.78 -170.38 12.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -60.01 4.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.62 -46.59 83.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.28 -68.41 0.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -136.92 138.85 41.1 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 19.4 m95 -124.49 156.97 36.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 107.995 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -92.95 158.83 15.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 33.3 m-85 -90.37 -170.47 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.67 -72.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 178.45 -45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -68.07 -61.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 46' ' ' ARG . 2.5 m -36.76 -44.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.42 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 64.4 m -65.56 -49.95 66.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' ARG . 39.0 mtt180 -44.93 -26.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -87.95 -35.84 17.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' SER . 96.0 mt -59.45 -53.23 60.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.559 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 7.5 tm-20 -62.51 -59.29 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.33 -45.48 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.74 -65.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -42.46 -44.02 3.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -59.36 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -48.7 -41.89 33.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.12 -7.83 8.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -52.11 129.44 27.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.57 -54.29 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -114.05 145.28 41.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.472 HG23 ' CB ' ' A' ' 73' ' ' ALA . 6.4 t -126.05 159.56 32.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' OE1' ' NH1' ' A' ' 83' ' ' ARG . 2.3 tt0 -106.69 145.33 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.91 127.84 11.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.56 106.0 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.607 HG13 ' CD2' ' A' ' 71' ' ' TYR . 4.5 mm -94.8 175.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' ILE . . . -36.17 92.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 41.48 51.68 4.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD2' ' O ' ' A' ' 67' ' ' ALA . 12.4 m-85 -160.65 120.66 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 0.745 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -75.17 122.5 23.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.607 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.6 m-85 -127.04 163.44 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.764 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.3 m -140.37 144.49 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.472 ' CB ' HG23 ' A' ' 62' ' ' THR . . . -113.85 115.43 27.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.557 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 24.2 t70 -97.59 102.8 14.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.576 HD22 ' CH2' ' A' ' 32' ' ' TRP . 10.3 mt -71.6 -29.2 64.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.91 -50.86 25.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 78' ' ' MET . 13.7 m-80 -101.83 -3.08 28.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.234 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.442 ' O ' HG13 ' A' ' 79' ' ' VAL . 0.0 OUTLIER 65.24 37.57 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 78' ' ' MET . 6.2 m -141.84 145.45 24.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.426 ' CB ' ' HA ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -114.39 147.79 38.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.09 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.764 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 1.6 p90 -145.05 157.95 43.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.463 ' CG ' ' CE1' ' A' ' 71' ' ' TYR . 1.2 mtm180 -63.83 136.13 57.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.425 ' NH1' ' OE1' ' A' ' 63' ' ' GLU . 2.7 ttt180 -50.16 -51.75 41.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -91.04 -54.15 4.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -73.61 57.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -41.96 -28.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.583 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 85' ' ' GLU . . . -57.81 -49.21 76.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.48 111.52 5.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -146.49 163.92 34.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.433 ' CD ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -157.47 154.85 29.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.365 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -79.37 151.97 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.6 pt -134.76 148.27 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -142.54 165.39 27.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -119.39 109.34 15.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -101.3 175.06 5.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.0 mm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 8.3 p90 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.502 0.191 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -149.05 151.48 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.46 ' CZ3' HD11 ' A' ' 75' ' ' LEU . 36.6 m95 -90.72 140.89 29.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 10.5 m-85 -125.57 153.2 44.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CD2' ' O ' ' A' ' 35' ' ' GLU . 9.6 p90 -135.05 150.46 50.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.563 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 30.6 tt0 -55.37 142.56 31.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -144.69 -143.53 4.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -78.54 -67.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.27 -52.75 64.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.05 -79.2 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -126.76 147.26 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -138.97 152.88 48.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.049 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.583 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -91.95 147.31 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.428 ' CE2' HD13 ' A' ' 51' ' ' LEU . 96.9 m-85 -68.18 -66.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -176.65 -68.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 177.9 -44.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -76.55 -56.57 4.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.414 HG23 ' CD1' ' A' ' 43' ' ' TYR . 21.2 m -42.81 -40.36 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' LEU . 36.1 p -75.96 -44.75 38.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -45.15 -26.16 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -85.82 -39.59 16.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.428 HD13 ' CE2' ' A' ' 43' ' ' TYR . 81.7 mt -53.12 -51.14 62.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -60.95 -58.77 7.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.78 -52.18 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.451 ' CA ' ' HB2' ' A' ' 59' ' ' LYS . . . -65.32 -59.2 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -44.78 -50.1 10.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.419 ' C ' ' N ' ' A' ' 58' ' ' GLY . 28.0 t -67.75 -62.03 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -41.02 -29.64 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 117.09 -10.74 15.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HB2' ' CA ' ' A' ' 54' ' ' ALA . 11.3 mttm -50.35 100.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.483 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -46.88 -30.65 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.456 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -147.73 168.82 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.449 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 10.4 t -150.13 128.49 12.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -81.58 158.46 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.84 157.63 35.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 66' ' ' ILE . 1.6 tp -115.76 113.62 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.702 ' CD1' ' CD2' ' A' ' 71' ' ' TYR . 3.8 mt -104.26 -179.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.435 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -37.82 93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 40.8 47.58 4.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.406 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 11.5 m-85 -158.05 111.44 2.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mt -75.87 121.96 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.702 ' CD2' ' CD1' ' A' ' 66' ' ' ILE . 18.2 m-85 -120.91 161.4 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.567 HG12 ' CE1' ' A' ' 81' ' ' TYR . 59.8 t -131.64 112.28 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.405 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -92.33 107.59 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.449 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 53.8 t0 -92.23 123.93 35.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.46 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -89.55 -32.64 17.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HG3' ' CG ' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -45.27 -48.41 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.334 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -103.79 -7.22 20.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.437 ' O ' HG12 ' A' ' 79' ' ' VAL . 3.9 tpt 66.46 41.75 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 78' ' ' MET . 5.2 m -139.58 144.74 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -112.45 126.9 55.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.567 ' CE1' HG12 ' A' ' 72' ' ' VAL . 5.4 p90 -127.34 145.24 50.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -56.7 137.35 54.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.464 ' HG3' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -51.62 -68.23 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -68.72 -50.46 50.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -91.7 80.86 5.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -26.27 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.55 -56.28 22.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -68.39 112.41 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.22 164.53 37.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.22 144.52 23.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.24 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -68.51 151.43 46.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.9 pt -128.29 154.39 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -145.8 144.17 30.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -87.45 112.91 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.492 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . 30.5 t0 -105.26 168.91 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.9 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.572 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 9.1 p90 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.5 0.19 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.12 164.5 25.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.462 ' CH2' HD21 ' A' ' 75' ' ' LEU . 40.0 m95 -106.21 141.51 37.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 42' ' ' GLN . 7.6 m-85 -124.28 149.33 46.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.599 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 7.8 p90 -136.38 133.67 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.5 tp10 -32.79 116.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.77 -161.85 26.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.38 -35.77 34.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -88.14 -48.46 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.09 -84.48 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -119.4 121.04 38.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.599 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -95.33 127.66 41.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.582 ' HB2' ' CE2' ' A' ' 33' ' ' TYR . 4.3 tt0 -90.91 128.96 36.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -60.75 -178.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -74.9 -69.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 178.61 -39.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -75.66 -65.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' ARG . 18.8 m -37.13 -42.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.436 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' LEU . 87.0 p -70.96 -48.35 53.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . 2.0 mmm180 -48.55 -23.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -85.94 -33.99 21.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.452 HD11 ' CB ' ' A' ' 32' ' ' TRP . 17.9 mt -55.56 -48.79 74.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 2.3 tm-20 -71.23 -47.38 57.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -42.5 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.27 -56.31 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -48.55 -46.4 38.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.9 t -65.1 -63.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -40.11 -34.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.17 -10.26 6.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -59.61 119.77 8.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.42 ' HB2' ' CG ' ' A' ' 76' ' ' GLU . 7.5 pttt -85.7 -39.28 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -113.81 110.03 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -111.04 118.18 35.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.48 146.65 30.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.67 160.23 40.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 tp -116.29 103.98 11.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 68' ' ' GLY . 22.5 mm -87.37 171.61 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.426 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -43.74 92.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 52.97 45.35 61.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.429 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 21.6 m-85 -163.03 100.19 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.503 ' CG ' ' HG3' ' A' ' 83' ' ' ARG . 23.9 tp -72.16 116.22 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.555 ' CD1' ' HA ' ' A' ' 82' ' ' ARG . 18.3 m-85 -112.81 170.37 8.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.53 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 90.1 t -131.37 112.4 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.54 114.08 24.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -99.34 102.04 13.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.462 HD21 ' CH2' ' A' ' 32' ' ' TRP . 3.6 mt -71.52 -27.02 62.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -49.69 -52.41 31.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 78' ' ' MET . 35.5 m-80 -102.34 -4.26 25.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 65.69 46.44 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.54 137.74 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.462 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -108.11 128.07 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.53 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 8.7 p90 -127.09 143.39 51.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.555 ' HA ' ' CD1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -47.42 152.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.503 ' HG3' ' CG ' ' A' ' 70' ' ' LEU . 3.0 mmm180 -46.04 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' HIS . 79.6 m-20 -84.49 -49.25 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.72 71.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' ASN . 37.0 t-80 -55.31 -41.01 71.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.558 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.62 -54.49 6.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.06 112.43 5.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -159.08 165.62 33.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.404 ' N ' ' HD2' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -149.53 154.33 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.92 145.95 44.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.462 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 7.7 pt -122.84 141.96 41.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.63 165.94 25.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -107.92 114.52 28.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.56 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . 18.2 t70 -110.7 175.53 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.6 mm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 96' ' ' ILE . 26.9 p90 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.514 0.197 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.63 133.83 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.594 ' CZ3' HD13 ' A' ' 75' ' ' LEU . 49.9 m95 -90.54 139.68 30.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -127.22 150.91 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 9.9 p90 -134.28 150.73 51.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -50.14 109.67 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.89 -164.69 20.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -63.52 -44.05 95.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.6 -66.87 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -137.56 138.54 39.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -129.89 167.97 17.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.39 154.8 19.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -77.12 -65.35 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -177.97 -81.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -172.73 -39.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -78.56 -57.89 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.8 m -42.95 -35.76 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' LEU . 75.3 p -78.6 -42.87 27.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -26.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -85.25 -40.8 16.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 73' ' ' ALA . 49.5 mt -55.33 -58.14 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.58 -44.38 69.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -45.49 93.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.476 ' CB ' ' HB ' ' A' ' 62' ' ' THR . . . -67.75 -61.92 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -43.06 -45.33 5.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.455 ' C ' ' N ' ' A' ' 58' ' ' GLY . 1.5 t -69.56 -63.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -40.15 -29.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 116.36 -8.11 18.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -54.09 104.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -51.22 -27.13 8.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.501 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 4.9 p30 -157.3 149.76 23.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.476 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 5.8 t -122.35 142.59 50.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.25 123.29 39.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.86 157.02 27.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 tp -121.8 105.84 10.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.56 HG13 ' CD2' ' A' ' 71' ' ' TYR . 12.0 mm -87.52 172.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -41.21 92.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 50.77 49.06 42.51 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.438 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 7.2 m-85 -157.55 107.07 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 111.038 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 70' ' ' LEU . 4.6 mm? -70.07 115.01 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 82' ' ' ARG . 9.7 m-85 -121.1 158.7 27.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.562 HG12 ' CE1' ' A' ' 81' ' ' TYR . 63.0 t -136.94 120.38 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.469 ' CB ' HD22 ' A' ' 51' ' ' LEU . . . -102.08 109.11 20.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.473 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 9.8 t0 -92.45 127.42 37.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.594 HD13 ' CZ3' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -93.99 -38.35 11.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.43 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 0.9 OUTLIER -48.31 -41.08 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -102.06 -14.19 17.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.452 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 2.1 tpt 67.36 47.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.452 ' CG1' ' C ' ' A' ' 78' ' ' MET . 1.2 m -152.54 147.34 14.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -114.79 133.95 55.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE1' HG12 ' A' ' 72' ' ' VAL . 2.9 p90 -130.48 158.84 38.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -77.36 138.58 39.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.401 ' CG ' HG22 ' A' ' 72' ' ' VAL . 3.6 mtp180 -56.2 -73.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.27 -49.61 69.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -97.12 75.58 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -55.68 -18.91 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.615 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.89 -54.99 21.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.33 111.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 110.357 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.442 ' HA ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -148.17 157.29 43.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -147.19 149.02 32.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -74.48 144.51 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.8 pt -129.56 161.11 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.01 135.32 13.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.448 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 8.8 ttp180 -94.72 111.83 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -109.05 -177.18 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 8.8 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.474 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 23.2 p90 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.483 0.182 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.93 -179.98 3.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CH2' HD21 ' A' ' 75' ' ' LEU . 59.3 m95 -124.19 150.69 44.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' ' 95' ' ' ASP . 20.5 m-85 -143.46 157.4 44.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.579 ' CD2' ' O ' ' A' ' 35' ' ' GLU . 9.2 p90 -127.39 153.9 45.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.579 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 42.4 tt0 -56.63 137.9 53.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.72 -147.33 5.22 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.06 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -58.04 -51.76 68.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.87 -94.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.458 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 66.7 m95 -119.62 128.95 54.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -112.54 155.08 24.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.033 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.54 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.6 tt0 -90.25 145.83 24.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.448 ' CE1' ' HB3' ' A' ' 34' ' ' TYR . 65.3 m-85 -66.79 -70.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.9 -71.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 177.3 -40.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.9 mmt-85 -75.8 -52.31 10.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 m -45.11 -43.58 9.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' LEU . 26.3 p -71.79 -47.73 51.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.421 ' HA ' ' CG ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -43.36 -28.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -90.12 -35.94 15.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.462 HD21 ' CG2' ' A' ' 62' ' ' THR . 56.4 mt -70.95 -37.87 72.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -68.71 -38.38 80.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.05 -52.07 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' PHE . . . -53.04 -69.1 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ALA . 28.5 t80 -37.35 -49.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -65.83 -64.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' SER . 6.7 mtmt -39.9 -38.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.75 -16.77 5.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -54.7 138.01 42.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -85.23 -56.25 3.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -109.68 164.49 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.462 ' CG2' HD21 ' A' ' 51' ' ' LEU . 9.0 t -155.15 122.33 5.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.78 128.3 34.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.12 117.61 22.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 tp -87.8 100.96 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.711 ' CD1' ' CD2' ' A' ' 71' ' ' TYR . 9.5 mt -82.38 177.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.443 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -45.52 91.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 54.39 40.61 69.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.25 94.96 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.035 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.96 117.25 11.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.711 ' CD2' ' CD1' ' A' ' 66' ' ' ILE . 12.4 m-85 -119.11 160.83 21.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.579 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 49.9 t -136.97 130.11 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.511 ' HB3' ' CG ' ' A' ' 80' ' ' GLN . . . -105.74 141.0 37.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -130.64 103.51 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.58 HD21 ' CH2' ' A' ' 32' ' ' TRP . 11.6 mt -73.5 -38.58 65.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.08 -46.32 4.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -102.05 -13.39 17.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.406 ' C ' HG12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER 69.6 41.11 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.458 HG12 ' CG ' ' A' ' 91' ' ' LYS . 5.8 m -136.4 156.96 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.511 ' CG ' ' HB3' ' A' ' 73' ' ' ALA . 4.0 mt-30 -124.6 126.15 45.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.579 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 19.7 p90 -131.24 150.89 51.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 1.0 OUTLIER -59.8 149.18 31.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.459 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -59.73 -70.1 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -64.61 -56.93 10.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 3.0 mt-10 -87.76 100.97 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -75.7 -30.98 59.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.554 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.98 -47.59 39.97 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.98 109.6 7.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.723 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.439 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -157.33 170.78 21.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -159.32 147.2 17.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.458 ' CG ' HG12 ' A' ' 79' ' ' VAL . 12.0 mttt -68.43 144.28 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.406 HG12 ' C ' ' A' ' 78' ' ' MET . 12.3 pt -118.08 164.63 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.458 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 6.2 pttt -151.48 165.46 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -108.5 121.98 46.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.571 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . 5.8 t70 -103.64 -179.96 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.0 mm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 33.7 p90 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.515 0.198 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.99 137.46 7.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.585 ' CH2' ' CD2' ' A' ' 75' ' ' LEU . 33.8 m95 -94.32 163.2 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.015 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.452 ' HB2' ' CG ' ' A' ' 93' ' ' LYS . 41.1 m-85 -144.32 161.89 37.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 41' ' ' TRP . 17.4 p90 -137.44 146.67 44.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.06 108.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.67 -179.7 18.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.16 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.42 -39.97 64.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.3 -69.04 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -136.2 111.73 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 14.0 m95 -97.08 147.2 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.007 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.7 tt0 -88.38 163.03 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CD1' HG21 ' A' ' 47' ' ' THR . 42.8 m-85 -87.43 -171.37 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -78.23 -65.85 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 177.33 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -67.0 -50.09 63.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.565 HG21 ' CD1' ' A' ' 43' ' ' TYR . 1.9 m -43.34 -54.53 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' LEU . 60.9 p -61.16 -48.5 81.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.57 -26.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -91.22 -35.36 14.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.572 ' CD2' ' CB ' ' A' ' 73' ' ' ALA . 95.9 mt -59.41 -50.6 73.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.543 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 15.1 tt0 -58.47 -60.19 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.82 -54.3 3.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.33 -64.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -42.58 -44.03 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.91 -66.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -40.66 -38.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.45 -9.16 13.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -50.95 134.84 25.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -77.44 -53.22 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -113.25 145.3 41.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.475 HG21 ' CB ' ' A' ' 73' ' ' ALA . 12.2 t -127.87 163.72 23.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -110.4 149.15 30.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.492 ' CE ' ' NE2' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -155.16 121.63 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.49 102.45 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.612 HG13 ' CD2' ' A' ' 71' ' ' TYR . 4.4 mm -90.16 176.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' ILE . . . -37.43 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 43.51 50.99 6.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.482 ' CE1' ' NH2' ' A' ' 82' ' ' ARG . 13.6 m-85 -161.44 115.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.482 ' CD1' ' HG3' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -74.28 115.63 14.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.612 ' CD2' HG13 ' A' ' 66' ' ' ILE . 14.7 m-85 -119.35 166.18 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.5 m -139.06 141.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.572 ' CB ' ' CD2' ' A' ' 51' ' ' LEU . . . -109.4 114.08 27.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.513 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.6 t0 -96.15 102.54 14.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.585 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 4.3 mt -73.84 -19.97 60.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -53.99 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -100.85 -3.96 28.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 tpt 68.74 44.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 m -149.33 144.97 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.526 ' NE2' ' HH ' ' A' ' 43' ' ' TYR . 3.2 pt20 -113.75 145.07 41.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 4.2 p90 -144.3 160.65 40.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.482 ' NH2' ' CE1' ' A' ' 69' ' ' PHE . 9.6 mtt180 -61.19 147.69 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HG2' ' CG1' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -48.66 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' HIS . 11.3 t30 -74.29 -52.67 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -63.25 74.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 84' ' ' ASN . 72.0 m-70 -56.95 -17.37 9.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.64 -65.17 2.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -52.6 109.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.493 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -151.58 158.66 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -156.73 153.19 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.246 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -71.93 152.26 42.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.404 ' CG2' ' OH ' ' A' ' 43' ' ' TYR . 3.4 pt -132.56 155.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 8.5 pttt -147.06 162.08 39.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.421 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 12.1 ttp180 -116.01 115.0 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -117.79 159.89 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.3 mm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.525 ' CE2' ' OE2' ' A' ' 52' ' ' GLU . 50.8 p90 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.478 0.18 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.35 125.93 26.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.473 ' CB ' HD13 ' A' ' 51' ' ' LEU . 53.6 m95 -89.83 127.61 36.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.046 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 32.1 m-85 -115.63 155.92 26.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -137.28 149.6 47.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.74 127.73 31.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.35 -141.97 8.77 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 -48.36 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -94.01 -58.01 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -137.13 -144.65 4.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.147 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -90.05 144.35 25.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.409 ' CE3' ' HA ' ' A' ' 41' ' ' TRP . 7.9 m95 -121.36 156.93 31.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -97.4 156.11 16.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.515 ' CD1' HG21 ' A' ' 47' ' ' THR . 47.8 m-85 -84.24 -171.06 3.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -80.19 -66.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 176.87 -51.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.453 ' CG ' ' N ' ' A' ' 47' ' ' THR . 31.9 ptt180 -65.15 -49.54 69.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.515 HG21 ' CD1' ' A' ' 43' ' ' TYR . 1.5 m -44.94 -42.3 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.6 m -71.68 -44.79 63.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -25.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.28 -37.65 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.499 ' CD2' ' CB ' ' A' ' 73' ' ' ALA . 85.7 mt -54.41 -52.71 60.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.525 ' OE2' ' CE2' ' A' ' 30' ' ' TYR . 15.0 tt0 -65.13 -55.36 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -44.31 -49.81 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.05 -58.28 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -42.05 -52.23 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.26 -57.26 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.435 ' HE3' ' CE ' ' A' ' 59' ' ' LYS . 4.7 mmmt -47.72 -42.14 24.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.14 -7.68 16.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' CE ' ' HE3' ' A' ' 57' ' ' LYS . 57.5 mttm -48.09 139.68 7.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.46 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 4.4 mptt -76.44 -54.93 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -117.49 150.8 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.474 ' CG2' ' HB1' ' A' ' 73' ' ' ALA . 11.1 t -129.27 141.88 50.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -86.69 114.91 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -125.2 125.54 43.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.7 tp -99.99 112.48 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' A' ' 68' ' ' GLY . 1.8 mt -100.03 -169.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' ILE . . . -36.5 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 37.24 44.48 1.11 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.557 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.5 m-85 -143.85 121.39 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.764 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.0 108.36 11.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 69' ' ' PHE . 15.0 m-85 -119.09 165.37 14.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.8 m -140.02 132.02 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.499 ' CB ' ' CD2' ' A' ' 51' ' ' LEU . . . -99.11 116.62 31.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 19.2 t0 -100.36 101.78 12.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 mt -70.78 -37.12 73.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.46 ' HG3' ' CG ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -46.55 -43.58 17.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -102.01 -12.49 18.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.422 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 4.3 tpt 70.17 38.1 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' CG1' ' C ' ' A' ' 78' ' ' MET . 1.1 m -149.77 146.52 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.428 ' CB ' ' HA ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -112.03 148.7 33.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 3.4 p90 -148.24 159.23 44.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -61.28 144.93 52.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.27 -73.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -75.28 -51.05 14.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 87' ' ' GLY . 1.5 mm-40 -74.65 60.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.55 -26.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 85' ' ' GLU . . . -49.6 -66.48 2.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -55.15 113.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 0.737 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.495 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 1.1 ptp180 -152.1 162.58 40.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.83 150.0 9.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -66.95 155.71 37.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.5 pt -132.6 157.75 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.47 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -153.65 166.01 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -131.08 109.04 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -107.33 116.23 31.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 56.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.501 ' CD1' ' NH1' ' A' ' 94' ' ' ARG . 23.5 p90 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.487 0.184 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.28 173.54 9.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.553 ' CH2' ' CD2' ' A' ' 75' ' ' LEU . 34.0 m95 -117.78 145.1 44.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 107.996 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 31.2 m-85 -133.68 161.13 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 41' ' ' TRP . 31.9 p90 -130.35 156.37 44.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.34 109.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -113.97 -160.93 13.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.07 -64.82 0.77 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -54.84 -40.01 69.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.84 -70.72 0.2 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -130.19 126.41 37.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.426 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 6.5 m95 -116.45 150.38 37.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.559 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.1 tt0 -89.44 161.02 16.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.406 ' OH ' ' CG2' ' A' ' 92' ' ' ILE . 48.1 m-85 -89.45 -175.98 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.8 -74.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -176.54 -41.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -70.01 -48.8 56.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -42.63 -54.8 3.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.7 p -60.1 -40.72 90.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -29.14 35.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -89.6 -25.96 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.21 -57.38 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.89 -50.81 65.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -51.63 -56.79 11.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.21 -63.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.405 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . 26.5 t80 -39.0 -45.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 t -65.79 -56.22 13.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -52.15 -41.05 62.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.26 -9.41 17.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -43.31 123.93 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.94 -55.05 21.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -114.26 141.59 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.518 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -123.04 153.51 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -110.74 146.99 35.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.19 120.68 3.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 tp -81.47 110.35 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.604 HG13 ' CD2' ' A' ' 71' ' ' TYR . 3.7 mm -97.94 176.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -38.06 92.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 43.83 50.13 7.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 68' ' ' GLY . 11.6 m-85 -166.09 109.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.433 HD21 ' N ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -73.07 120.02 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.604 ' CD2' HG13 ' A' ' 66' ' ' ILE . 18.8 m-85 -119.46 161.67 20.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.639 HG21 ' CE2' ' A' ' 81' ' ' TYR . 3.2 m -137.11 144.07 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.482 ' HA ' ' CG ' ' A' ' 80' ' ' GLN . . . -111.82 124.05 51.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' MET . 0.7 OUTLIER -98.91 96.99 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.553 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 21.4 mt -66.85 -29.66 69.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.1 -52.05 47.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -102.66 -4.51 25.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER 63.58 55.96 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.507 ' CA ' HG12 ' A' ' 92' ' ' ILE . 2.5 m -138.83 -173.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.482 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 9.9 mt-30 -152.64 131.67 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.639 ' CE2' HG21 ' A' ' 72' ' ' VAL . 1.6 p90 -141.66 156.23 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.463 ' CZ ' ' HG3' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -65.34 163.89 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.452 ' HG2' ' CG1' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -73.11 -75.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -66.86 -53.66 30.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 4.5 mm-40 -84.72 83.13 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -60.48 -19.3 56.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.575 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.44 -65.02 3.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 64.5 mmt-85 -56.8 111.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.447 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -162.53 172.05 16.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.61 169.32 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -84.08 152.86 24.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.507 HG12 ' CA ' ' A' ' 79' ' ' VAL . 7.8 pt -130.8 153.05 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -141.73 161.48 37.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.501 ' NH1' ' CD1' ' A' ' 30' ' ' TYR . 7.0 ttp85 -104.76 116.05 31.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -107.68 176.38 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 30' ' ' TYR . 10.0 p90 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.477 0.179 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.65 133.88 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.551 ' CH2' HD22 ' A' ' 75' ' ' LEU . 93.3 m95 -91.31 135.68 33.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.019 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.517 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 28.3 m-85 -132.05 132.71 43.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 21.6 p90 -113.26 145.83 40.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.22 133.92 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.32 -164.1 10.29 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -51.44 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -67.08 -48.21 68.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.67 -76.06 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.138 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.587 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 80.8 m95 -127.58 130.03 48.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -119.31 150.03 40.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 108.039 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.3 OUTLIER -91.79 133.86 35.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 51.5 m-85 -60.39 179.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -68.07 -75.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -176.65 -56.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ARG . 27.4 ttt180 -61.88 -57.13 12.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -41.12 -32.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.41 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 51' ' ' LEU . 58.6 m -78.26 -44.63 25.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.05 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' ARG . 93.3 mtt180 -43.26 -31.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -80.85 -40.06 25.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' SER . 19.6 mt -58.34 -66.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.04 -45.11 7.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -52.74 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.98 -64.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.407 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 30.5 t80 -39.39 -51.01 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -62.0 1.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -42.26 -44.86 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.24 -11.21 7.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -48.59 134.25 15.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -82.52 -51.56 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -113.66 142.62 45.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 5.1 p -121.63 159.49 26.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -115.79 151.03 35.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.71 120.87 3.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 66' ' ' ILE . 1.8 tp -85.33 126.24 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.576 HG13 ' CD2' ' A' ' 71' ' ' TYR . 2.4 mm -118.84 -178.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' ILE . . . -37.99 92.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 40.84 46.82 3.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.504 ' CE1' ' NH1' ' A' ' 82' ' ' ARG . 8.5 m-85 -157.48 114.45 2.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.07 126.21 30.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CD2' HG13 ' A' ' 66' ' ' ILE . 23.8 m-85 -123.82 159.98 28.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.2 m -138.8 144.54 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -116.82 110.78 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.469 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 22.1 t0 -92.88 104.39 16.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.551 HD22 ' CH2' ' A' ' 32' ' ' TRP . 11.2 mt -74.66 -21.23 59.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.47 -53.27 56.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 78' ' ' MET . 40.1 m-80 -100.69 -3.58 29.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.444 ' C ' ' CG1' ' A' ' 92' ' ' ILE . 0.0 OUTLIER 66.23 47.7 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.419 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.3 m -150.97 144.7 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.31 149.64 35.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 1.4 p90 -148.36 159.29 44.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.504 ' NH1' ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -69.77 134.09 48.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -68.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.175 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -54.83 -57.61 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 19.8 mp0 -101.43 98.57 8.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -64.81 -16.89 63.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.61 -66.34 2.73 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.64 113.22 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 0.798 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.18 164.0 38.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -159.75 157.57 29.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -76.07 156.05 34.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.444 ' CG1' ' C ' ' A' ' 78' ' ' MET . 7.7 pt -134.81 144.25 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.587 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -143.05 142.25 31.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.407 ' NH1' ' CE2' ' A' ' 55' ' ' PHE . 14.1 ttp180 -107.22 105.43 15.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -100.37 -172.43 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 96' ' ' ILE . 18.7 p90 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.485 0.184 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.81 144.83 25.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.582 ' CZ3' HD13 ' A' ' 75' ' ' LEU . 40.6 m95 -101.79 150.61 22.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 107.948 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 41.0 m-85 -134.53 134.92 41.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 20.8 p90 -116.35 140.83 48.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.62 110.39 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.14 -169.3 21.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -61.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -58.25 -40.17 81.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.01 -70.97 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -131.27 127.62 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.433 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 4.3 m95 -113.49 145.02 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 107.992 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -86.81 162.53 17.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.4 ' OH ' ' OE1' ' A' ' 80' ' ' GLN . 63.1 m-85 -90.44 -170.43 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.32 -69.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 175.69 -51.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -71.61 -54.52 10.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -41.17 -46.57 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.45 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' LEU . 77.5 p -70.79 -44.14 67.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -48.12 -33.61 8.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -75.49 -31.66 60.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.492 HD12 ' CG ' ' A' ' 32' ' ' TRP . 62.4 mt -61.58 -44.93 96.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.59 -63.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -41.44 -45.39 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.45 -64.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -43.21 -48.05 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.58 -62.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -44.51 -33.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LYS . . . 120.73 -8.68 10.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 61' ' ' ASN . 8.9 mttp -51.92 94.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 0.805 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -42.21 -28.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.496 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 15.5 p30 -163.11 148.11 11.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.3 t -124.86 144.2 50.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -94.77 126.6 40.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.491 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -118.59 166.94 12.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.9 tp -124.83 107.2 10.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.549 HG13 ' CD2' ' A' ' 71' ' ' TYR . 19.8 mm -87.29 170.9 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' N ' ' CG2' ' A' ' 66' ' ' ILE . . . -42.77 92.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 52.83 47.93 58.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -164.56 99.91 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 64' ' ' MET . 0.9 OUTLIER -67.38 121.31 15.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CD2' HG13 ' A' ' 66' ' ' ILE . 9.9 m-85 -121.09 165.71 14.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.523 HG13 ' CE1' ' A' ' 81' ' ' TYR . 23.0 t -133.66 121.11 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.469 ' HA ' ' CG ' ' A' ' 80' ' ' GLN . . . -101.56 120.93 41.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.49 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 42.8 t0 -104.71 125.55 50.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.582 HD13 ' CZ3' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -92.3 -33.88 14.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.9 mt-10 -51.33 -43.45 61.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 78' ' ' MET . 3.4 m-80 -102.1 -8.95 20.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 62.69 49.13 3.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.469 ' N ' HG12 ' A' ' 92' ' ' ILE . 2.9 m -139.13 178.5 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.469 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 5.0 mt-30 -143.96 119.0 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.523 ' CE1' HG13 ' A' ' 72' ' ' VAL . 9.2 p90 -128.4 143.57 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -49.8 165.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.441 ' HD2' ' CD1' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -83.63 -53.64 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.07 -44.74 16.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -102.81 78.19 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -55.19 -28.78 55.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.54 -54.11 11.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.102 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 14.1 mtp-105 -71.52 111.89 7.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -153.44 173.34 15.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.68 169.3 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 135.2 33.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.469 HG12 ' N ' ' A' ' 79' ' ' VAL . 6.7 pt -124.37 147.71 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.5 137.21 28.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.413 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 25.6 ttp180 -95.83 111.25 23.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.65 145.9 47.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 13.7 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.7 p90 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.456 0.17 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.73 150.38 52.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.52 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 58.7 m95 -94.0 136.02 34.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.515 ' CE2' ' HG3' ' A' ' 42' ' ' GLN . 14.8 m-85 -124.39 154.3 40.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -141.05 141.62 34.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.61 116.98 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.12 -157.23 10.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -64.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -56.04 -44.6 78.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.92 -70.63 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -132.26 118.38 19.41 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -106.82 145.9 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 107.981 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.515 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -90.63 132.35 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -50.47 178.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 33.4 m-20 -64.18 -74.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 7.0 tt0 165.99 -28.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 47' ' ' THR . 5.0 ptp180 -80.78 -31.71 35.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.496 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 1.5 m -69.75 -60.74 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -39.79 -42.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -40.31 -29.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 48' ' ' SER . 41.1 mm-40 -94.36 -37.53 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HB3' ' CD2' ' A' ' 32' ' ' TRP . 3.9 mp -52.88 -46.81 68.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 11.3 pt-20 -71.2 -52.7 17.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.432 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 2.7 m-20 -48.65 -56.61 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.484 ' CB ' ' HB2' ' A' ' 59' ' ' LYS . . . -56.69 -66.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -38.26 -36.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.9 t -80.22 -61.27 2.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -45.45 -43.26 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.21 -16.98 4.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.484 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 41.4 mttm -44.4 105.13 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.99 -23.58 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.532 ' CB ' ' HA ' ' A' ' 74' ' ' ASP . 20.0 p30 -164.51 150.0 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.9 t -128.37 148.02 50.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -90.2 166.84 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.8 114.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.4 tp -84.97 102.0 12.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.655 ' CD1' ' CD2' ' A' ' 71' ' ' TYR . 3.6 mt -90.01 -177.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.448 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -38.55 93.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 42.51 47.41 5.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.488 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.5 m-85 -155.46 105.69 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.4 109.63 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.655 ' CD2' ' CD1' ' A' ' 66' ' ' ILE . 14.5 m-85 -109.89 159.47 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.577 HG12 ' CE1' ' A' ' 81' ' ' TYR . 47.0 t -136.78 116.13 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.9 121.14 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.532 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 43.6 t0 -101.88 133.81 46.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' A' ' 61' ' ' ASN . 0.3 OUTLIER -94.42 -36.46 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -43.72 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -101.7 -9.31 20.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.49 55.33 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.484 ' CA ' HG12 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -146.53 -170.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 80' ' ' GLN . 2.9 pt20 -156.59 122.18 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.577 ' CE1' HG12 ' A' ' 72' ' ' VAL . 11.6 p90 -123.6 157.61 33.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -72.9 128.59 35.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.437 ' HG2' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -47.09 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.67 -58.56 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -102.53 102.31 12.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.494 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 5.2 t-160 -69.23 -25.98 64.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.595 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.16 -63.07 3.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.03 115.88 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.456 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 2.8 ptm180 -163.42 160.49 23.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.62 165.89 26.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -88.22 143.75 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.484 HG12 ' CA ' ' A' ' 79' ' ' VAL . 19.8 pt -120.66 161.94 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -154.07 141.31 19.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -91.25 114.35 26.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -107.52 173.82 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 30' ' ' TYR . 1.9 p90 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.513 0.197 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -166.8 149.12 6.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.439 ' CH2' HD23 ' A' ' 75' ' ' LEU . 48.5 m95 -102.18 149.27 24.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 107.994 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.494 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 31.6 m-85 -131.58 150.0 52.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.486 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 9.6 p90 -135.58 147.0 48.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.481 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -37.6 136.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.87 -171.07 13.95 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.83 -32.09 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -101.04 -47.13 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -155.13 -101.76 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -117.74 131.21 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.486 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 10.0 m95 -109.5 140.11 43.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -90.76 155.62 18.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.554 ' CD1' HG23 ' A' ' 47' ' ' THR . 49.0 m-85 -78.89 -176.58 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -77.98 -66.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 177.36 -36.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -79.47 -53.89 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.554 HG23 ' CD1' ' A' ' 43' ' ' TYR . 22.5 m -47.14 -38.38 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.3 p -74.92 -42.45 57.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -24.05 17.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -90.56 -20.87 22.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.541 ' CD1' ' CE2' ' A' ' 43' ' ' TYR . 77.1 mt -75.69 -38.6 58.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.58 -54.99 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -45.62 -49.54 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.25 -68.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -40.19 -45.0 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -66.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -41.37 -43.72 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.36 -11.41 5.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -59.64 111.93 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -63.31 -46.45 86.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.68 151.26 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.409 ' CG2' HD21 ' A' ' 51' ' ' LEU . 4.8 t -140.69 119.88 12.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -81.95 126.25 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.407 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -130.58 125.69 34.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.995 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.9 tp -87.61 115.2 24.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.564 HG13 ' CD2' ' A' ' 71' ' ' TYR . 4.9 mm -97.77 176.46 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.426 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -40.84 93.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 46.98 47.32 19.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -160.87 101.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' CD1' ' HD2' ' A' ' 83' ' ' ARG . 0.7 OUTLIER -69.21 124.87 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.564 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.3 m-85 -124.81 163.53 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.405 ' CG2' ' HG3' ' A' ' 83' ' ' ARG . 98.7 t -138.62 115.07 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.407 ' HB1' ' CE ' ' A' ' 64' ' ' MET . . . -90.87 115.41 27.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.476 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 7.8 t0 -99.79 107.96 20.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.439 HD23 ' CH2' ' A' ' 32' ' ' TRP . 15.7 mt -75.7 -28.1 58.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.36 -47.64 56.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.083 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -101.61 -5.64 24.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 tpt 66.43 38.62 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -145.54 147.53 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.72 137.89 51.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 3.3 p90 -133.23 150.7 51.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -59.88 135.51 57.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.46 ' HD2' ' CD1' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -52.16 -57.51 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -81.71 -49.81 10.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 2.7 tt0 -89.47 72.73 7.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -53.86 -34.5 59.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.586 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.78 -50.76 25.38 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -72.54 113.3 9.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.87 166.92 29.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.48 156.4 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.81 153.14 38.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.8 pt -132.63 152.99 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -155.28 135.15 12.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -93.37 121.85 35.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.01 175.16 9.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.452 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 1.1 mm . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.407 ' CE1' ' CB ' ' A' ' 52' ' ' GLU . 33.7 p90 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.494 0.188 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.98 153.98 21.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.573 ' CH2' ' CD2' ' A' ' 75' ' ' LEU . 37.8 m95 -112.08 152.52 28.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 37.7 m-85 -133.43 155.13 50.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 41' ' ' TRP . 21.5 p90 -137.83 136.35 37.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -37.91 109.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.433 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -100.24 -158.82 28.16 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -82.24 -45.75 14.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 0.735 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -77.88 -41.19 37.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.73 -81.84 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -128.64 118.74 23.44 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.554 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 4.6 m95 -98.1 143.92 28.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.3 tt0 -94.08 121.89 36.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 90.6 m-85 -42.25 -61.93 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.8 t0 174.11 -78.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -178.78 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -81.27 -60.31 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.2 m -45.87 -38.03 6.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 p -77.27 -36.31 54.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -20.54 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -91.14 -34.31 15.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.42 HD23 ' CG2' ' A' ' 62' ' ' THR . 58.6 mt -60.77 -35.75 77.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' CB ' ' CE1' ' A' ' 30' ' ' TYR . 3.7 tp10 -71.93 -55.33 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -47.44 52.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.2 -70.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.488 ' CE1' ' NH1' ' A' ' 94' ' ' ARG . 13.8 t80 -45.85 -30.66 1.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.1 t -77.86 -63.35 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -44.56 -40.8 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.96 -13.62 3.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -66.63 111.31 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.485 ' HB3' ' CG ' ' A' ' 76' ' ' GLU . 69.3 mmtt -76.68 -46.12 26.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.18 114.56 28.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.42 ' CG2' HD23 ' A' ' 51' ' ' LEU . 9.0 t -115.37 119.55 36.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.45 137.17 32.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.446 ' CE ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -130.97 123.77 29.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.98 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.4 tt -86.76 101.18 13.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' A' ' 68' ' ' GLY . 39.8 mm -78.95 170.07 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.431 ' N ' ' CG2' ' A' ' 66' ' ' ILE . . . -45.92 90.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 59.37 44.7 96.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.456 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -160.09 96.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.55 107.53 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.614 ' CE1' ' CG ' ' A' ' 82' ' ' ARG . 9.2 m-85 -107.61 156.08 19.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.539 HG12 ' CE1' ' A' ' 81' ' ' TYR . 27.4 t -131.91 124.66 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.446 ' HB3' ' CE ' ' A' ' 64' ' ' MET . . . -107.36 111.07 23.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.9 116.47 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.573 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 2.8 mt -88.55 -32.11 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.485 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -57.05 -39.64 75.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -101.36 -2.91 29.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.46 42.19 24.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 80' ' ' GLN . 2.7 t -142.16 167.52 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.557 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 9.3 pt20 -137.86 134.21 34.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.539 ' CE1' HG12 ' A' ' 72' ' ' VAL . 8.3 p90 -139.87 156.95 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.614 ' CG ' ' CE1' ' A' ' 71' ' ' TYR . 26.6 mtt180 -81.61 138.49 35.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -59.1 5.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.8 -51.67 60.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -95.58 70.12 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -43.52 -41.74 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.567 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.01 -58.16 11.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.596 1.185 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.81 110.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 3.6 ptm180 -159.08 174.31 15.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -169.08 156.24 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.529 ' HG2' ' CG2' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -69.33 153.89 42.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.5 pt -138.47 147.68 25.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -147.68 135.55 21.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.488 ' NH1' ' CE1' ' A' ' 55' ' ' PHE . 31.9 ttp180 -93.48 122.82 36.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.71 169.2 15.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.603 ' CE2' ' HD2' ' A' ' 94' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.521 0.2 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -158.9 127.96 5.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.582 ' CH2' HD21 ' A' ' 75' ' ' LEU . 29.6 m95 -105.65 137.04 44.17 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.483 ' HB2' ' CG ' ' A' ' 93' ' ' LYS . 33.4 m-85 -115.95 159.42 21.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 28.8 p90 -137.85 154.88 49.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -44.13 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.535 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -98.28 163.4 21.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -47.48 66.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.1 -32.24 64.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.79 -67.75 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -135.15 131.93 37.42 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.535 ' CD1' ' HA3' ' A' ' 36' ' ' GLY . 9.2 m95 -121.45 136.34 54.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 107.989 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -75.28 149.98 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 33.2 m-85 -80.96 -175.32 5.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 3.2 t70 -73.0 -86.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 44' ' ' ASP . 10.3 tt0 177.54 -33.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 49' ' ' ARG . 14.0 ptp180 -67.86 -38.41 83.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.479 HG22 ' CD1' ' A' ' 51' ' ' LEU . 1.7 m -74.91 -64.88 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.98 -33.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -49.91 -30.16 9.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.455 ' CG ' HD13 ' A' ' 51' ' ' LEU . 6.1 pt-20 -94.63 -36.19 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.486 HD23 ' CB ' ' A' ' 32' ' ' TRP . 2.8 mp -48.05 -50.59 27.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 12.6 pt-20 -68.97 -52.76 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 5.9 m-20 -42.65 -59.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.464 ' CA ' ' HB2' ' A' ' 59' ' ' LYS . . . -60.09 -67.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.441 ' CZ ' ' NH1' ' A' ' 94' ' ' ARG . 35.3 t80 -37.31 -52.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -66.22 -61.86 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -41.73 -36.45 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.95 -10.16 8.93 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HB2' ' CA ' ' A' ' 54' ' ' ALA . 9.7 mttm -46.8 148.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -54.91 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -121.35 152.83 38.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -147.21 121.02 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 72' ' ' VAL . 6.5 pt-20 -94.63 135.55 35.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.95 152.68 46.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.23 101.75 11.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' A' ' 68' ' ' GLY . 16.4 mm -87.15 173.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 66' ' ' ILE . . . -39.08 92.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 46.48 49.93 14.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.432 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 1.5 m-85 -159.48 113.33 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 70' ' ' LEU . 4.5 mm? -76.33 115.69 16.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.521 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.0 m-85 -116.35 152.75 33.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.531 HG13 ' CE1' ' A' ' 81' ' ' TYR . 90.9 t -129.78 112.88 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.22 111.43 23.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -99.2 119.41 37.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.582 HD21 ' CH2' ' A' ' 32' ' ' TRP . 50.8 mt -82.93 -30.88 28.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -47.19 42.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 78' ' ' MET . 17.2 m120 -100.84 -9.12 21.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.431 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 65.28 47.07 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.416 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.5 m -150.94 149.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.435 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 2.0 pt20 -117.84 132.81 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.531 ' CE1' HG13 ' A' ' 72' ' ' VAL . 1.7 p90 -130.19 155.71 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -62.48 127.47 31.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.46 ' HG3' ' CG2' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -45.34 -67.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -63.85 -59.81 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -88.29 85.06 6.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -59.44 -24.11 63.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.575 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.61 -62.74 4.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -61.24 112.31 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' A' ' 81' ' ' TYR . 1.4 ptt-85 -147.71 152.92 38.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.2 mtm-85 -143.12 150.25 39.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.28 154.88 41.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.435 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 4.8 pt -140.63 155.71 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -152.18 159.87 43.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.603 ' HD2' ' CE2' ' A' ' 30' ' ' TYR . 9.4 ttp-105 -119.5 134.01 55.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -148.89 165.22 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.8 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 16.8 p90 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.44 0.162 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.13 141.77 51.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CH2' HD22 ' A' ' 75' ' ' LEU . 65.5 m95 -89.75 149.84 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 20.3 m-85 -135.79 145.96 47.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.503 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 16.1 p90 -138.86 129.54 26.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -44.73 145.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.32 -130.02 2.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.08 -56.54 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -70.69 -59.28 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -156.7 -93.24 0.1 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -121.25 149.08 43.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 7.4 m95 -120.5 144.7 47.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.58 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -98.56 120.29 38.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.452 ' OH ' ' NE2' ' A' ' 80' ' ' GLN . 93.2 m-85 -49.09 179.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 27.1 t0 -83.68 -64.82 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 3.4 tt0 163.54 -27.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 49' ' ' ARG . 2.7 mmt180 -71.05 -43.79 67.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.42 ' C ' HD11 ' A' ' 51' ' ' LEU . 2.3 m -70.19 -63.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -38.56 -44.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.049 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -41.59 -28.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 48' ' ' SER . 5.0 mm-40 -94.87 -36.75 11.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.471 ' N ' HD13 ' A' ' 51' ' ' LEU . 3.8 mp -50.63 -44.22 57.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 1.3 tm-20 -76.57 -51.26 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -48.52 -44.4 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.495 ' CB ' ' HB ' ' A' ' 62' ' ' THR . . . -70.51 -61.83 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 3.2 t80 -37.05 -35.95 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 t -88.66 -54.63 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -40.95 -46.86 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.76 -5.96 16.19 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.125 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 61' ' ' ASN . 17.7 mttt -54.02 -28.16 36.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 0.8 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.503 ' HD2' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER 66.45 -58.26 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 59' ' ' LYS . 1.1 m120 -102.31 113.41 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.495 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 9.1 t -108.08 123.97 49.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.68 124.18 33.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . 0.422 ' HE3' ' NE2' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -120.65 143.96 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.456 ' CD1' HD21 ' A' ' 70' ' ' LEU . 2.5 tp -118.49 110.24 17.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.581 ' CD1' ' CD2' ' A' ' 71' ' ' TYR . 4.3 mt -94.65 -179.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -41.33 92.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 48.45 46.65 29.23 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.413 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -145.28 114.65 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 0.723 . . . . 0.0 110.959 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.456 HD21 ' CD1' ' A' ' 65' ' ' LEU . 4.6 mm? -81.26 108.45 14.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.581 ' CD2' ' CD1' ' A' ' 66' ' ' ILE . 15.8 m-85 -119.5 151.87 37.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.8 t -136.19 116.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.413 ' HB1' ' CE ' ' A' ' 64' ' ' MET . . . -95.2 114.14 25.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.441 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 24.1 t0 -98.07 104.07 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.56 HD22 ' CH2' ' A' ' 32' ' ' TRP . 7.6 mt -74.47 -30.55 61.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -50.09 -44.77 52.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -101.35 -8.09 22.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.4 tpt 68.36 36.09 3.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 74' ' ' ASP . 1.3 m -142.48 147.32 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.481 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 2.3 pt20 -114.73 133.52 55.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.441 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 4.5 p90 -130.6 156.32 45.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' HG3' ' CB ' ' A' ' 88' ' ' ARG . 39.6 mtt180 -73.02 135.46 44.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.453 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 1.5 ttt180 -55.59 -56.68 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -73.28 -47.15 45.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -93.52 60.25 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -41.61 -30.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.598 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.39 -57.02 20.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.439 ' CB ' ' HG3' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -60.85 117.74 5.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.413 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 21.3 ptt180 -157.2 167.64 29.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.71 158.98 43.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.12 135.13 34.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.481 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 23.1 pt -112.27 160.93 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -154.05 163.64 39.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -118.34 111.36 18.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -105.34 170.53 7.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 111.017 -0.417 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 p -128.4 166.03 19.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -166.14 170.48 13.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.72 140.59 5.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 m -131.25 -58.58 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.986 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.79 -58.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.48 -163.44 14.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -133.43 173.69 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mp -123.8 -66.52 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 60.42 155.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.17 140.74 11.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 178.76 6.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.451 1.764 . . . . 0.0 111.032 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -95.64 148.13 22.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tp -155.67 24.04 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mp 61.32 171.82 0.11 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.5 p -64.2 158.19 65.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -8.62 20.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.427 1.751 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -43.14 9.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -33.36 63.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' C ' ' N ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -81.12 -51.39 8.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.08 -28.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 20' ' ' LEU . . . -43.77 -62.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 25' ' ' ARG . . . -91.47 -47.69 7.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -39.22 -30.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -47.06 -66.63 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.258 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.23 -33.37 8.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.33 -6.14 41.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.733 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -75.61 -91.45 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -168.81 -167.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 8.1 p90 -126.62 168.5 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.42 ' CB ' HG13 ' A' ' 97' ' ' ILE . . . -161.76 155.09 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.579 ' CH2' HD22 ' A' ' 75' ' ' LEU . 38.7 m95 -100.09 144.11 29.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 13.6 m-85 -124.26 127.08 47.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.405 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 28.6 p90 -107.79 136.88 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -48.34 144.1 4.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -143.4 -142.84 4.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -68.43 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -55.41 -50.7 69.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.07 -79.76 0.05 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -129.83 152.45 49.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.405 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 23.4 m95 -130.69 144.92 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 108.001 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.498 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 1.1 tt0 -89.02 135.87 33.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -62.48 -170.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.97 -68.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 178.29 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -80.31 -50.5 10.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 m -44.53 -31.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.354 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.8 p -84.09 -38.58 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -49.54 -22.86 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -86.89 -38.7 16.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.21 -30.93 71.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.563 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -84.36 -49.79 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.26 -48.79 67.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.39 -59.73 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.419 ' HB2' ' CD1' ' A' ' 75' ' ' LEU . 9.8 t80 -48.44 -51.19 28.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -62.42 -60.83 2.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -41.2 -39.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.9 -8.48 6.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -57.51 140.16 51.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 0.0 109.256 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.414 ' HB3' ' CG ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -95.76 -47.25 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -122.23 123.62 41.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -117.43 132.07 56.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -96.32 130.82 43.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.476 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 6.9 ptp -123.44 146.62 47.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 tp -117.4 106.43 13.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' A' ' 68' ' ' GLY . 3.8 mt -87.77 177.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.54 92.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 51.59 46.91 53.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.665 ' CD1' ' CE2' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -149.33 106.93 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 111.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.493 ' HB3' ' CB ' ' A' ' 83' ' ' ARG . 4.6 mm? -76.2 107.95 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.665 ' CE2' ' CD1' ' A' ' 69' ' ' PHE . 15.6 m-85 -118.86 153.28 34.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.537 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 21.4 t -132.04 119.34 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.476 ' HB1' ' CE ' ' A' ' 64' ' ' MET . . . -102.8 126.34 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.401 ' OD2' ' OH ' ' A' ' 81' ' ' TYR . 0.9 OUTLIER -110.78 117.02 32.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.579 HD22 ' CH2' ' A' ' 32' ' ' TRP . 18.3 mt -79.51 -25.17 41.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 1.8 mm-40 -51.91 -49.27 63.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -101.46 -4.93 25.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.69 48.44 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.06 -174.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -153.08 126.81 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.537 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 3.5 p90 -123.73 155.81 37.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.554 ' NH1' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -67.93 131.4 45.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.493 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -44.34 -59.04 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -81.58 -49.22 10.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -85.21 78.72 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -57.48 -33.32 67.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.83 -56.87 21.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -64.51 112.5 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -159.27 158.27 32.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -140.66 168.2 20.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -88.87 157.68 18.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.9 pt -135.42 147.07 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -145.65 134.35 22.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -85.69 118.19 25.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -118.78 161.61 19.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.3 mt -90.87 137.17 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 98' ' ' ASP . 35.8 mm -123.03 169.28 14.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.474 ' N ' ' CG2' ' A' ' 97' ' ' ILE . 2.8 p30 -113.65 83.08 1.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 100' ' ' PRO . 21.5 mm -105.77 141.56 22.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 99' ' ' ILE . 18.3 Cg_endo -74.98 64.4 6.03 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -69.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -40.65 -53.05 2.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -43.34 -66.35 1.24 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.57 1.169 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.9 m -78.21 77.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.3 m -63.86 153.12 37.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.954 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.59 76.51 0.2 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 167.53 26.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.98 167.83 20.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.043 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.0 m -73.08 143.34 47.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -176.69 147.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t 66.73 160.15 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.56 174.19 42.83 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.4 p -136.35 170.69 15.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -133.75 -59.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.81 177.42 42.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -177.34 133.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -169.12 150.96 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -176.71 147.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -152.86 90.51 3.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 177.46 8.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 m -81.51 160.95 23.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.359 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mt -118.23 109.57 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp 174.36 178.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.29 168.76 17.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -15.57 20.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -88.88 -47.97 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -45.21 -48.51 12.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -58.39 8.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -45.63 -61.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.63 -65.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.83 -51.14 17.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.356 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.2 m -53.19 -39.24 63.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.4 mtp-105 -69.71 -13.03 62.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.256 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.41 -62.24 2.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.77 -64.58 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.01 81.61 1.53 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -114.96 104.2 11.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 0.752 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.466 ' CD2' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -37.77 134.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.55 119.64 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.578 ' CZ2' ' HD3' ' A' ' 94' ' ' ARG . 27.6 m95 -88.95 127.33 35.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.013 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -112.23 160.44 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.556 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 21.6 p90 -143.53 147.79 35.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -42.29 120.55 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.416 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -115.06 -160.33 12.73 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.575 1.172 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.74 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -66.52 -44.48 82.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -159.44 -106.36 0.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -113.34 129.67 56.47 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.556 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 10.4 m95 -101.82 150.88 22.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.056 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.37 164.03 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.538 ' CD1' HG21 ' A' ' 47' ' ' THR . 60.6 m-85 -90.31 178.34 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.73 -65.86 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 176.95 -51.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' THR . 18.5 mtm180 -67.91 -53.2 28.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.538 HG21 ' CD1' ' A' ' 43' ' ' TYR . 3.3 m -38.43 -45.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' LEU . 70.6 p -70.54 -48.26 56.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -46.61 -25.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -89.02 -34.76 16.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 32' ' ' TRP . 89.2 mt -62.16 -47.4 84.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.466 ' HG3' ' CD2' ' A' ' 30' ' ' TYR . 7.6 tm-20 -64.2 -58.22 7.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.45 -52.47 13.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.92 -70.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.434 ' CE2' ' CZ ' ' A' ' 94' ' ' ARG . 11.0 t80 -38.34 -49.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.7 t -65.2 -60.57 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -45.03 -44.31 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.14 -17.82 4.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -49.91 100.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -60.3 -42.61 95.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -123.68 119.67 30.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.9 t -108.79 121.78 45.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.48 128.7 35.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.46 130.05 49.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 tp -98.1 103.76 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.553 HG13 ' CD2' ' A' ' 71' ' ' TYR . 14.5 mm -80.57 169.71 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.435 ' N ' ' CG2' ' A' ' 66' ' ' ILE . . . -45.84 91.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 58.67 44.76 95.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.512 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 6.1 m-85 -155.78 100.97 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.481 ' HB3' ' CB ' ' A' ' 83' ' ' ARG . 4.6 mm? -68.11 111.08 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.553 ' CD2' HG13 ' A' ' 66' ' ' ILE . 10.6 m-85 -118.07 152.96 34.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.569 HG11 ' CE1' ' A' ' 81' ' ' TYR . 66.9 t -134.47 115.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.65 111.23 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.442 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.7 t0 -96.85 110.97 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.569 HD22 ' CH2' ' A' ' 32' ' ' TRP . 43.6 mt -77.44 -32.77 54.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -47.19 -46.62 23.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 78' ' ' MET . 31.3 m120 -102.42 -4.87 24.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.487 ' C ' HG13 ' A' ' 79' ' ' VAL . 0.0 OUTLIER 63.61 36.19 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.487 HG13 ' C ' ' A' ' 78' ' ' MET . 17.2 m -138.54 146.83 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.464 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 3.3 pt20 -113.47 126.09 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.569 ' CE1' HG11 ' A' ' 72' ' ' VAL . 5.2 p90 -123.69 153.77 40.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.28 131.8 46.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.481 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -45.13 -63.46 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -68.53 -57.73 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -86.65 82.83 7.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -59.57 -33.47 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.586 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.83 -54.91 26.04 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -65.21 111.07 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.442 ' NH2' HG23 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -151.49 163.13 39.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 mmt-85 -142.77 152.48 42.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 150.78 45.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.464 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 6.1 pt -138.51 152.19 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.435 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.7 OUTLIER -151.06 162.39 40.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.578 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 3.1 ttp-105 -110.97 114.85 28.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -122.2 178.96 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 pt -136.51 128.72 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -169.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -131.3 74.2 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.425 ' CG2' ' HD2' ' A' ' 100' ' ' PRO . 30.1 mm -117.13 141.0 27.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' HD2' ' CG2' ' A' ' 99' ' ' ILE . 18.3 Cg_endo -75.01 54.66 3.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.778 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.72 -68.11 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -41.31 -36.14 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 105' ' ' SER . . . -48.62 -55.18 11.45 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.1 t 68.02 -68.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 109.289 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' GLY . 8.7 p 172.88 -37.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.951 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 144.92 143.28 3.97 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.62 26.88 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.9 p -112.0 172.25 7.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 86.5 p -117.42 159.97 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.76 158.95 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 178.59 170.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.06 172.77 35.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 p -170.75 168.42 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 109.946 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.1 p -176.96 167.0 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.74 132.81 1.74 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -174.87 150.5 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tt -156.29 93.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -175.37 125.74 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.364 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.46 70.02 39.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -169.38 0.62 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 t -156.6 -58.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 61.33 -178.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.77 178.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.71 164.95 56.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.18 15.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.3 -44.73 19.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -52.55 58.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -47.08 -59.68 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' LEU . 39.4 mttt -40.42 -56.02 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.82 -58.63 7.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.18 -45.5 11.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -45.37 -42.79 10.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -49.55 -22.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.81 -67.53 1.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.71 -63.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.97 93.45 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 13.3 mm-40 -134.13 -175.26 3.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 0.748 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 4.5 p90 -98.88 137.2 37.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.49 ' HB1' ' CG1' ' A' ' 97' ' ' ILE . . . -139.09 147.24 41.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.547 ' CZ3' HD13 ' A' ' 75' ' ' LEU . 52.1 m95 -101.18 153.73 19.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 19.2 m-85 -143.87 129.77 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 23.9 p90 -105.35 142.77 34.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.48 112.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.7 176.04 16.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.127 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -61.33 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.798 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -56.87 -25.48 56.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.53 -65.04 0.38 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -139.79 136.96 34.62 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.422 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 14.4 m95 -125.21 147.67 48.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.8 tt0 -90.88 161.68 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -90.77 -174.21 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.17 -77.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -178.8 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' ARG . 15.2 mmt180 -77.88 -54.85 5.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 m -40.94 -31.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.7 p -85.34 -43.15 13.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' ARG . 3.9 mtt-85 -49.89 -27.82 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -80.44 -31.32 37.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.22 -40.42 90.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 3.3 tp10 -69.89 -58.96 3.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.335 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -42.62 -46.78 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.476 ' CA ' ' HB2' ' A' ' 59' ' ' LYS . . . -69.46 -53.8 17.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.432 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 22.9 t80 -49.59 -44.25 46.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.9 t -72.43 -62.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -40.43 -35.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.66 -9.82 7.64 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.476 ' HB2' ' CA ' ' A' ' 54' ' ' ALA . 27.1 mttm -53.86 97.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 1.8 mptt -50.09 -23.19 1.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.48 ' CB ' ' HA ' ' A' ' 74' ' ' ASP . 19.3 p30 -166.15 154.53 10.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -131.09 150.5 52.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -98.95 127.26 44.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.408 ' HE3' ' NE2' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -122.02 152.73 39.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.447 ' CD1' HD23 ' A' ' 70' ' ' LEU . 2.0 tp -116.78 105.17 12.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.567 HG13 ' CD2' ' A' ' 71' ' ' TYR . 6.6 mm -86.81 174.38 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -40.42 92.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 48.71 49.23 28.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.495 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.0 m-85 -155.36 111.21 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.472 ' HB3' ' CB ' ' A' ' 83' ' ' ARG . 4.6 mm? -73.0 113.22 9.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.592 ' CE1' ' HG2' ' A' ' 82' ' ' ARG . 11.6 m-85 -121.6 156.95 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 74.9 t -136.11 123.9 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.516 ' CB ' ' CG ' ' A' ' 80' ' ' GLN . . . -101.62 131.68 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.48 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 31.5 t0 -115.17 124.2 50.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.547 HD13 ' CZ3' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -91.35 -35.72 14.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.3 mt-10 -49.16 -45.51 43.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -102.65 -10.48 19.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.406 ' HB3' ' O ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER 62.73 53.63 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.46 ' CA ' HG12 ' A' ' 92' ' ' ILE . 3.1 m -149.64 143.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.516 ' CG ' ' CB ' ' A' ' 73' ' ' ALA . 3.0 mt-30 -109.53 121.38 45.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.571 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 6.1 p90 -126.53 148.44 49.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.592 ' HG2' ' CE1' ' A' ' 71' ' ' TYR . 1.3 mmt85 -59.44 140.36 56.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.472 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -49.85 -47.82 51.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -97.18 -55.21 2.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 4.9 mm-40 -69.56 57.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.436 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 3.3 t-160 -44.56 -31.36 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.649 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.44 -44.9 97.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.29 110.72 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.48 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 26.7 ptt85 -158.84 165.03 35.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 89' ' ' ARG . 3.2 mmt-85 -142.55 163.06 33.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -81.76 131.61 35.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.46 HG12 ' CA ' ' A' ' 79' ' ' VAL . 30.7 pt -117.68 144.1 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -137.62 165.72 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -123.28 122.77 39.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -128.55 169.04 14.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.519 ' O ' ' CD1' ' A' ' 97' ' ' ILE . 6.1 mm -89.77 132.12 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.519 ' CD1' ' O ' ' A' ' 96' ' ' ILE . 1.6 mm -143.3 -142.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER 77.38 120.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.455 ' CD1' ' HB2' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -123.1 161.89 42.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.95 4.43 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -97.28 -69.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -96.51 -53.88 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 105' ' ' SER . . . -47.71 -59.18 6.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t 65.39 -76.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -131.19 153.52 49.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -100.83 121.95 7.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 177.61 8.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.3 p -159.77 147.25 16.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.1 p -175.99 172.58 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.968 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -174.32 160.46 3.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -172.61 151.87 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.8 177.68 18.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.575 1.172 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 p 176.23 90.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 110.021 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -173.26 141.61 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.47 93.85 0.1 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 54.13 106.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -160.28 78.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -100.82 -60.62 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -174.56 64.0 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.424 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 18.1 Cg_endo -75.03 66.63 6.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.464 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 8.9 t -136.6 -178.56 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' CD2' ' O ' ' A' ' 13' ' ' THR . 1.0 OUTLIER -144.68 -164.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.7 mt -66.09 176.45 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -91.96 163.82 26.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.963 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.45 21.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -84.73 -47.11 10.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.45 -25.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -69.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -30.24 70.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.31 -40.33 67.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.19 -50.99 35.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -58.53 7.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -41.23 -29.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' CG2' ' A' ' 96' ' ' ILE . . . -49.5 -50.28 30.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -44.48 -26.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 26' ' ' GLY . . . -56.47 -84.06 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 28' ' ' GLY . 11.1 mm-40 -141.27 -155.49 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.604 ' CE2' ' OE1' ' A' ' 52' ' ' GLU . 18.6 p90 -124.91 175.87 7.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.458 ' CB ' HG13 ' A' ' 97' ' ' ILE . . . -163.86 144.96 8.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CZ3' HD11 ' A' ' 75' ' ' LEU . 51.3 m95 -89.71 153.5 20.66 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -139.87 139.25 36.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -117.76 150.24 39.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.57 113.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -113.21 -173.77 18.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -63.38 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.58 -56.55 20.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.01 -70.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -134.41 135.13 42.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -126.65 160.31 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.417 ' NE2' ' HB1' ' A' ' 31' ' ' ALA . 1.2 tt0 -94.01 154.72 17.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.644 ' CE2' ' CD2' ' A' ' 51' ' ' LEU . 64.8 m-85 -74.69 -83.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 21.0 t0 -173.4 -65.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.482 ' OE1' ' CG2' ' A' ' 99' ' ' ILE . 6.1 tt0 161.98 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -73.9 -44.86 53.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.443 HG22 ' CD1' ' A' ' 51' ' ' LEU . 1.2 m -71.35 -64.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -37.81 -44.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.65 -29.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 48' ' ' SER . 8.9 mm-40 -94.45 -38.75 10.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.644 ' CD2' ' CE2' ' A' ' 43' ' ' TYR . 4.2 mp -48.5 -48.77 37.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.604 ' OE1' ' CE2' ' A' ' 30' ' ' TYR . 11.9 tp10 -73.54 -57.42 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -40.03 -51.55 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.472 ' CA ' ' HB2' ' A' ' 59' ' ' LYS . . . -68.38 -62.84 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -41.09 -38.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 58' ' ' GLY . 26.8 t -79.56 -61.07 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -43.26 -27.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 117.04 -8.04 16.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HB2' ' CA ' ' A' ' 54' ' ' ALA . 1.8 mttm -51.43 122.82 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.463 ' CD ' ' HG3' ' A' ' 76' ' ' GLU . 12.2 mmtt -66.45 -28.68 68.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.49 ' CB ' ' HA ' ' A' ' 74' ' ' ASP . 8.1 p30 -158.81 142.27 14.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.469 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 6.3 t -113.23 135.62 53.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -89.99 123.08 33.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.45 150.42 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 tp -113.63 104.69 12.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' A' ' 68' ' ' GLY . 20.6 mm -87.68 172.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.407 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -40.79 92.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 49.29 49.13 32.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.494 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 2.5 m-85 -156.57 111.2 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' HB3' ' CD ' ' A' ' 83' ' ' ARG . 4.5 mm? -73.45 113.21 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 69' ' ' PHE . 11.8 m-85 -119.85 156.7 30.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 44.9 t -135.78 116.51 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.64 109.71 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.572 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 2.9 t0 -91.93 126.41 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.516 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -94.11 -32.86 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' HG3' ' CD ' ' A' ' 60' ' ' LYS . 1.7 mt-10 -50.77 -44.13 58.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -101.43 -10.31 20.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.41 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 66.5 46.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.3 m -151.07 147.25 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.413 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 4.4 pt20 -112.48 131.68 55.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 2.8 p90 -129.94 156.94 43.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -67.91 160.51 28.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.46 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -75.22 -74.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -61.79 -41.11 97.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.86 68.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -27.35 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.626 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.39 -56.67 14.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -61.11 111.66 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.77 . . . . 0.0 110.308 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 81' ' ' TYR . 3.6 ptm180 -148.1 154.4 40.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -142.89 150.5 39.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.92 142.93 41.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.466 HD12 ' CE3' ' A' ' 32' ' ' TRP . 20.4 pt -128.72 162.9 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -152.63 164.98 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.432 ' NH1' ' OE2' ' A' ' 52' ' ' GLU . 4.8 ttp180 -111.53 111.43 22.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -105.43 166.3 10.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.514 ' O ' ' CD1' ' A' ' 97' ' ' ILE . 32.9 mt -97.84 133.19 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 96' ' ' ILE . 6.2 mm -144.12 -128.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 49.7 t0 177.38 85.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.482 ' CG2' ' OE1' ' A' ' 45' ' ' GLU . 31.3 mm -76.41 141.06 69.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 99' ' ' ILE . 18.4 Cg_endo -75.01 74.48 4.0 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -81.23 -16.86 51.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -56.22 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -45.95 -58.8 5.36 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.0 m -69.36 147.33 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.8 p -158.6 149.12 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.48 111.52 3.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 134.02 17.27 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.7 t -76.92 166.89 22.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 m -74.69 150.79 39.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -176.94 149.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.148 . . . . 0.0 110.023 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -164.47 170.21 16.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.66 -170.71 29.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -156.13 156.7 34.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 109.991 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -95.74 109.92 22.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.18 94.37 0.84 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 8' ' ' PHE . 42.7 p90 -157.93 124.54 4.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.96 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt 70.14 122.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -166.31 -57.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 67.96 9.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 164.49 33.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.553 1.817 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.425 HG21 ' CD2' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -51.22 143.56 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.442 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.08 16.34 14.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' CD2' HG21 ' A' ' 13' ' ' THR . 3.8 pp -41.9 160.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.437 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -91.39 174.99 3.84 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.3 Cg_endo -74.99 -20.0 17.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -73.75 -36.62 65.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -54.42 -28.59 44.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -54.0 12.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -40.92 97.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.05 -37.86 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.0 -56.67 11.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -63.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.957 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -40.79 -34.32 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 97' ' ' ILE . . . -47.92 -37.25 15.33 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.095 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -49.53 -22.53 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 0.78 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -38.75 -65.25 0.78 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -144.88 -166.52 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 110.294 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 24.6 p90 -143.92 131.01 20.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.12 157.18 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.4 m95 -99.89 154.77 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.028 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 43.2 m-85 -143.1 146.37 33.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 17.8 p90 -124.03 148.51 46.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' TYR . 36.1 tt0 -37.65 114.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.439 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -115.68 158.87 14.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.2 -50.93 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.76 -39.75 80.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.89 -64.16 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.501 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 91.9 m95 -134.38 129.17 34.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.449 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 6.5 m95 -115.84 144.88 43.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 108.015 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 4.6 tt0 -91.63 143.53 26.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.512 ' CE2' ' CD1' ' A' ' 51' ' ' LEU . 57.6 m-85 -68.08 169.17 10.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -56.64 -68.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 179.37 -41.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' THR . 1.3 ttt180 -71.9 -57.14 4.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.418 HG21 ' CD1' ' A' ' 43' ' ' TYR . 4.0 m -37.44 -50.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.371 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 49.4 m -63.89 -51.31 65.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -43.71 -27.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' SER . 8.5 mm-40 -91.67 -35.21 14.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.512 ' CD1' ' CE2' ' A' ' 43' ' ' TYR . 69.2 mt -64.59 -52.21 58.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -40.3 72.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.59 -59.49 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.85 -64.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -44.66 -52.14 8.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LYS . 5.8 t -61.1 -66.34 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' SER . 38.5 mtmt -39.92 -43.41 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.99 -7.91 6.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -52.35 140.04 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.34 -51.98 5.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -118.22 122.4 42.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.2 t -105.64 128.78 53.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.71 120.9 29.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.411 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -120.6 159.18 25.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 tt -125.69 104.33 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.559 ' O ' ' N ' ' A' ' 68' ' ' GLY . 13.7 mm -83.4 170.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.433 ' N ' ' CG2' ' A' ' 66' ' ' ILE . . . -44.24 90.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 57.67 46.66 91.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.49 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 17.6 m-85 -159.42 97.46 1.35 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 0.754 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HG ' ' CD ' ' A' ' 83' ' ' ARG . 0.2 OUTLIER -66.72 110.46 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 82' ' ' ARG . 11.4 m-85 -114.22 163.24 15.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.415 ' CG2' ' HG3' ' A' ' 83' ' ' ARG . 47.3 t -139.26 117.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.431 ' HA ' ' CB ' ' A' ' 80' ' ' GLN . . . -91.46 118.72 30.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 9.7 t0 -102.05 103.38 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.68 -38.02 70.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -44.59 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -102.65 -12.06 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.422 ' O ' HG12 ' A' ' 79' ' ' VAL . 4.3 tpt 71.59 32.44 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' ' 78' ' ' MET . 6.9 m -139.13 143.02 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.452 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 1.1 pt20 -111.61 133.93 53.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 3.2 p90 -130.48 154.44 47.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 2.6 ttm180 -70.04 140.25 52.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -53.88 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.61 -56.64 16.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.51 79.66 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -55.35 -32.41 62.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.627 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.95 -62.89 5.65 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.6 mmt-85 -53.61 112.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.437 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -154.59 167.47 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.62 158.74 41.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.8 mttm -78.94 146.95 33.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.452 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 13.0 pt -123.24 152.57 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.501 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -149.01 165.32 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.457 ' HD2' ' CD1' ' A' ' 30' ' ' TYR . 12.0 ttp180 -118.19 116.22 26.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -111.37 125.7 54.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.401 HG23 ' O ' ' A' ' 29' ' ' GLU . 24.2 mm -58.19 133.33 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 98' ' ' ASP . 2.1 mm -134.42 161.02 41.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.437 ' N ' ' CG2' ' A' ' 97' ' ' ILE . 3.3 m-20 -72.98 -134.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.0 pp -136.71 155.76 76.5 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.58 14.26 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -52.21 -56.26 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -23.95 6.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.37 -64.24 4.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 p -70.95 119.06 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.9 73.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -115.12 164.0 12.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.0 p -174.96 170.94 3.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t -131.07 150.01 52.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.097 . . . . 0.0 110.973 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -168.17 148.69 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.22 128.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.61 -135.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.65 -61.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.073 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.44 170.46 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 8' ' ' PHE . . . -141.72 -174.18 14.37 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 1.6 m-85 -176.24 173.85 2.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tp -166.61 148.35 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -177.0 166.91 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -67.08 131.14 93.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 18.2 Cg_endo -75.02 -56.78 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.5 t -143.27 -166.07 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.44 103.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 54.56 -178.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.36 170.96 5.66 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -17.66 19.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -81.25 -24.3 37.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.03 -35.46 72.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -64.09 -27.45 69.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -73.17 -9.15 58.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 24' ' ' SER . . . -42.71 -28.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 21' ' ' LYS . . . -47.82 -24.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 22' ' ' ALA . 71.0 m -86.37 -68.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' ASN . 12.1 ptp180 -43.21 -27.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' ARG . . . -37.22 -32.24 0.07 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 25' ' ' ARG . 1.1 m-20 -45.34 -62.85 1.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 0.793 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.546 ' CA ' ' HB ' ' A' ' 97' ' ' ILE . . . -101.0 -100.14 2.4 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 1.7 mt-10 78.13 -80.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 44.8 p90 -132.77 150.43 52.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.495 ' HB3' ' CG1' ' A' ' 97' ' ' ILE . . . -145.74 148.01 32.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.576 ' CH2' HD22 ' A' ' 75' ' ' LEU . 77.7 m95 -99.61 130.05 45.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 107.995 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 20.6 m-85 -122.83 141.46 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 41' ' ' TRP . 21.8 p90 -112.78 135.26 53.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' CD ' ' A' ' 90' ' ' ARG . 0.2 OUTLIER -49.73 132.53 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.78 -170.38 12.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -60.01 4.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.62 -46.59 83.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.28 -68.41 0.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -136.92 138.85 41.1 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 19.4 m95 -124.49 156.97 36.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 107.995 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -92.95 158.83 15.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 33.3 m-85 -90.37 -170.47 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.67 -72.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 178.45 -45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -68.07 -61.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 46' ' ' ARG . 2.5 m -36.76 -44.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.42 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 64.4 m -65.56 -49.95 66.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' ARG . 39.0 mtt180 -44.93 -26.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -87.95 -35.84 17.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' SER . 96.0 mt -59.45 -53.23 60.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.559 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 7.5 tm-20 -62.51 -59.29 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.33 -45.48 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.74 -65.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -42.46 -44.02 3.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -59.36 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -48.7 -41.89 33.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.12 -7.83 8.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -52.11 129.44 27.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.57 -54.29 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -114.05 145.28 41.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.472 HG23 ' CB ' ' A' ' 73' ' ' ALA . 6.4 t -126.05 159.56 32.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' OE1' ' NH1' ' A' ' 83' ' ' ARG . 2.3 tt0 -106.69 145.33 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.91 127.84 11.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -91.56 106.0 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.607 HG13 ' CD2' ' A' ' 71' ' ' TYR . 4.5 mm -94.8 175.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' ILE . . . -36.17 92.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 41.48 51.68 4.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD2' ' O ' ' A' ' 67' ' ' ALA . 12.4 m-85 -160.65 120.66 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 0.745 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -75.17 122.5 23.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.607 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.6 m-85 -127.04 163.44 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.764 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.3 m -140.37 144.49 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.472 ' CB ' HG23 ' A' ' 62' ' ' THR . . . -113.85 115.43 27.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.557 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 24.2 t70 -97.59 102.8 14.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.576 HD22 ' CH2' ' A' ' 32' ' ' TRP . 10.3 mt -71.6 -29.2 64.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.91 -50.86 25.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 78' ' ' MET . 13.7 m-80 -101.83 -3.08 28.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.234 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.442 ' O ' HG13 ' A' ' 79' ' ' VAL . 0.0 OUTLIER 65.24 37.57 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 78' ' ' MET . 6.2 m -141.84 145.45 24.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.426 ' CB ' ' HA ' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -114.39 147.79 38.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.09 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.764 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 1.6 p90 -145.05 157.95 43.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.463 ' CG ' ' CE1' ' A' ' 71' ' ' TYR . 1.2 mtm180 -63.83 136.13 57.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.425 ' NH1' ' OE1' ' A' ' 63' ' ' GLU . 2.7 ttt180 -50.16 -51.75 41.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -91.04 -54.15 4.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -73.61 57.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -41.96 -28.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.583 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 85' ' ' GLU . . . -57.81 -49.21 76.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.48 111.52 5.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -146.49 163.92 34.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.433 ' CD ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -157.47 154.85 29.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.365 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -79.37 151.97 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.6 pt -134.76 148.27 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -142.54 165.39 27.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -119.39 109.34 15.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -101.3 175.06 5.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 29' ' ' GLU . 20.0 mm -103.53 148.56 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.546 ' HB ' ' CA ' ' A' ' 28' ' ' GLY . 11.7 mm -131.05 173.98 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.41 ' H ' ' CG2' ' A' ' 97' ' ' ILE . 9.7 t70 72.28 111.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.7 pp -39.9 157.03 0.15 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 113.7 3.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -91.13 -56.48 3.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -41.68 -31.68 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 104' ' ' VAL . . . -67.55 -65.16 2.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 103' ' ' GLY . 7.9 p 37.99 58.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 104' ' ' VAL . 17.9 t -38.25 101.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -42.84 102.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.425 1.078 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 126.28 9.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.2 m 70.15 160.21 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 t -158.97 144.04 16.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 p -161.4 -59.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -92.7 153.85 18.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.83 -179.34 37.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m 61.92 148.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.737 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 t -173.2 171.96 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.04 162.24 23.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.115 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.58 93.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -174.24 137.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -168.14 -63.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? 46.63 73.07 1.06 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 136.79 20.86 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.465 1.771 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.4 ' O ' ' CB ' ' A' ' 14' ' ' LEU . 3.3 t -173.97 -171.52 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.4 ' CB ' ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER 171.18 139.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 pp -179.96 -172.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -151.97 176.4 2.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.3 Cg_endo -75.01 -13.5 21.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -87.5 -49.04 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -26.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.74 -69.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -37.77 76.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.11 -38.43 38.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.46 -31.6 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -59.81 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -58.35 -16.66 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.508 ' C ' ' CG2' ' A' ' 96' ' ' ILE . . . -58.77 -44.49 95.82 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -44.03 -26.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 26' ' ' GLY . . . -37.69 -62.79 0.93 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.11 -170.82 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.349 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 8.3 p90 -137.2 165.64 25.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -149.05 151.48 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.46 ' CZ3' HD11 ' A' ' 75' ' ' LEU . 36.6 m95 -90.72 140.89 29.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 10.5 m-85 -125.57 153.2 44.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CD2' ' O ' ' A' ' 35' ' ' GLU . 9.6 p90 -135.05 150.46 50.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.563 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 30.6 tt0 -55.37 142.56 31.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -144.69 -143.53 4.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -78.54 -67.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.27 -52.75 64.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.05 -79.2 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -126.76 147.26 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -138.97 152.88 48.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.049 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.583 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -91.95 147.31 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.428 ' CE2' HD13 ' A' ' 51' ' ' LEU . 96.9 m-85 -68.18 -66.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -176.65 -68.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 177.9 -44.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -76.55 -56.57 4.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.414 HG23 ' CD1' ' A' ' 43' ' ' TYR . 21.2 m -42.81 -40.36 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' LEU . 36.1 p -75.96 -44.75 38.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -45.15 -26.16 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -85.82 -39.59 16.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.428 HD13 ' CE2' ' A' ' 43' ' ' TYR . 81.7 mt -53.12 -51.14 62.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -60.95 -58.77 7.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.78 -52.18 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.451 ' CA ' ' HB2' ' A' ' 59' ' ' LYS . . . -65.32 -59.2 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -44.78 -50.1 10.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.419 ' C ' ' N ' ' A' ' 58' ' ' GLY . 28.0 t -67.75 -62.03 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -41.02 -29.64 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 117.09 -10.74 15.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' HB2' ' CA ' ' A' ' 54' ' ' ALA . 11.3 mttm -50.35 100.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -46.88 -30.65 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.456 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -147.73 168.82 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.449 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 10.4 t -150.13 128.49 12.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -81.58 158.46 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.84 157.63 35.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 66' ' ' ILE . 1.6 tp -115.76 113.62 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.702 ' CD1' ' CD2' ' A' ' 71' ' ' TYR . 3.8 mt -104.26 -179.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.435 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -37.82 93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 40.8 47.58 4.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.406 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 11.5 m-85 -158.05 111.44 2.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mt -75.87 121.96 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.702 ' CD2' ' CD1' ' A' ' 66' ' ' ILE . 18.2 m-85 -120.91 161.4 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.567 HG12 ' CE1' ' A' ' 81' ' ' TYR . 59.8 t -131.64 112.28 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' CB ' HD21 ' A' ' 51' ' ' LEU . . . -92.33 107.59 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.449 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 53.8 t0 -92.23 123.93 35.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.46 HD11 ' CZ3' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -89.55 -32.64 17.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HG3' ' CG ' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -45.27 -48.41 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.334 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -103.79 -7.22 20.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.437 ' O ' HG12 ' A' ' 79' ' ' VAL . 3.9 tpt 66.46 41.75 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 78' ' ' MET . 5.2 m -139.58 144.74 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -112.45 126.9 55.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.567 ' CE1' HG12 ' A' ' 72' ' ' VAL . 5.4 p90 -127.34 145.24 50.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -56.7 137.35 54.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.464 ' HG3' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -51.62 -68.23 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -68.72 -50.46 50.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -91.7 80.86 5.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -26.27 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.55 -56.28 22.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -68.39 112.41 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.22 164.53 37.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.22 144.52 23.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.24 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -68.51 151.43 46.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.9 pt -128.29 154.39 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -145.8 144.17 30.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -87.45 112.91 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.492 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . 30.5 t0 -105.26 168.91 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.508 ' CG2' ' C ' ' A' ' 26' ' ' GLY . 45.9 mt -101.79 138.6 25.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 98' ' ' ASP . 2.6 mm -126.7 155.44 37.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.431 ' N ' HG23 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -61.06 -66.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -161.52 162.3 21.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.99 37.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.441 1.759 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.98 -54.82 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.87 -54.53 4.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -38.07 -62.64 1.02 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.7 p -41.0 115.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.03 173.64 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -115.64 111.27 2.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 167.3 27.37 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.2 t -164.67 164.88 21.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.63 164.99 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.032 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.38 -55.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m 61.39 142.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.94 87.73 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.43 163.56 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 0.803 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.52 162.13 9.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.041 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.84 -158.66 9.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.503 ' O ' ' CD2' ' A' ' 8' ' ' PHE . 38.2 p90 -161.28 117.69 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.64 131.82 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.63 120.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.233 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 46' ' ' ARG . 2.8 mttm -157.59 112.25 1.84 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 160.28 40.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -173.61 -171.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.427 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.38 160.34 14.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' CD1' ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.48 -171.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.417 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -135.42 164.91 40.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.954 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 16' ' ' SER . 18.4 Cg_endo -74.99 -8.85 20.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -91.09 -23.6 20.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -22.02 62.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.09 -32.57 22.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -76.5 -8.0 56.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' ALA . . . -40.59 -29.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 21' ' ' LYS . . . -36.61 -68.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.52 -49.05 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -56.84 -16.67 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.5 ' O ' ' CG2' ' A' ' 96' ' ' ILE . . . -41.49 -27.9 0.32 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 25' ' ' ARG . 5.2 m-80 -52.98 -19.37 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.18 -78.92 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -136.54 -163.18 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.282 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.572 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 9.1 p90 -124.05 153.23 41.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' CB ' HG13 ' A' ' 97' ' ' ILE . . . -131.12 164.5 25.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.462 ' CH2' HD21 ' A' ' 75' ' ' LEU . 40.0 m95 -106.21 141.51 37.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 42' ' ' GLN . 7.6 m-85 -124.28 149.33 46.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.599 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 7.8 p90 -136.38 133.67 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.5 tp10 -32.79 116.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.77 -161.85 26.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.38 -35.77 34.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -88.14 -48.46 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.09 -84.48 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -119.4 121.04 38.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.599 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -95.33 127.66 41.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.582 ' HB2' ' CE2' ' A' ' 33' ' ' TYR . 4.3 tt0 -90.91 128.96 36.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -60.75 -178.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -74.9 -69.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 178.61 -39.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -75.66 -65.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' ARG . 18.8 m -37.13 -42.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.436 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' LEU . 87.0 p -70.96 -48.35 53.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . 2.0 mmm180 -48.55 -23.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -85.94 -33.99 21.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.452 HD11 ' CB ' ' A' ' 32' ' ' TRP . 17.9 mt -55.56 -48.79 74.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 2.3 tm-20 -71.23 -47.38 57.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -42.5 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.27 -56.31 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -48.55 -46.4 38.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.9 t -65.1 -63.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -40.11 -34.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.17 -10.26 6.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -59.61 119.77 8.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.321 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.42 ' HB2' ' CG ' ' A' ' 76' ' ' GLU . 7.5 pttt -85.7 -39.28 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -113.81 110.03 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -111.04 118.18 35.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.48 146.65 30.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.67 160.23 40.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 tp -116.29 103.98 11.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.533 ' O ' ' N ' ' A' ' 68' ' ' GLY . 22.5 mm -87.37 171.61 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.426 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -43.74 92.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 52.97 45.35 61.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.429 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 21.6 m-85 -163.03 100.19 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.503 ' CG ' ' HG3' ' A' ' 83' ' ' ARG . 23.9 tp -72.16 116.22 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.555 ' CD1' ' HA ' ' A' ' 82' ' ' ARG . 18.3 m-85 -112.81 170.37 8.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.53 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 90.1 t -131.37 112.4 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.54 114.08 24.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -99.34 102.04 13.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.462 HD21 ' CH2' ' A' ' 32' ' ' TRP . 3.6 mt -71.52 -27.02 62.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -49.69 -52.41 31.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 78' ' ' MET . 35.5 m-80 -102.34 -4.26 25.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 65.69 46.44 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.54 137.74 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.462 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -108.11 128.07 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.53 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 8.7 p90 -127.09 143.39 51.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.555 ' HA ' ' CD1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -47.42 152.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.503 ' HG3' ' CG ' ' A' ' 70' ' ' LEU . 3.0 mmm180 -46.04 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' HIS . 79.6 m-20 -84.49 -49.25 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.72 71.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' ASN . 37.0 t-80 -55.31 -41.01 71.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.558 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.62 -54.49 6.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.06 112.43 5.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -159.08 165.62 33.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.404 ' N ' ' HD2' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -149.53 154.33 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.92 145.95 44.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.462 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 7.7 pt -122.84 141.96 41.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.63 165.94 25.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -107.92 114.52 28.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.56 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . 18.2 t70 -110.7 175.53 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 30.6 mm -103.14 136.77 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.489 HG13 ' CB ' ' A' ' 31' ' ' ALA . 2.3 mm -131.3 163.86 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.488 ' N ' ' CG2' ' A' ' 97' ' ' ILE . 18.4 t0 -70.86 -90.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.436 HG13 ' CG2' ' A' ' 97' ' ' ILE . 33.3 mt 66.33 141.66 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' HD2' ' CG2' ' A' ' 99' ' ' ILE . 18.3 Cg_endo -75.03 104.61 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -96.47 -52.73 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -47.56 69.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -50.24 -67.38 1.88 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.9 p -70.24 116.76 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 0.74 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.45 156.22 41.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.28 -154.4 20.75 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 129.14 12.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 62.3 m -139.11 161.27 37.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.5 t -107.19 -60.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 p -177.83 129.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.66 169.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.67 164.86 30.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.55 165.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -165.41 93.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.93 170.4 25.49 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.479 ' O ' ' CD2' ' A' ' 8' ' ' PHE . 17.3 p90 -167.51 94.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.597 0.822 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.05 61.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.38 117.27 19.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -113.79 138.96 22.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.72 4.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 t -156.93 -178.0 7.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -174.09 176.73 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.96 173.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.92 165.81 13.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -17.01 19.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.03 -34.45 57.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -28.17 66.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -56.6 -70.17 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' SER . 4.9 mtmt -51.79 -54.65 26.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.72 -41.67 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 20' ' ' LEU . . . -44.29 -45.95 8.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' LYS . 1.9 t -44.27 -34.34 1.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -39.96 -34.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -47.99 -21.82 1.84 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -51.15 -26.75 7.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.51 ' HA2' ' CB ' ' A' ' 98' ' ' ASP . . . 115.35 113.71 2.91 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 1.9 mt-10 166.11 160.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 0.772 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 96' ' ' ILE . 26.9 p90 -54.15 158.59 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.63 133.83 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.594 ' CZ3' HD13 ' A' ' 75' ' ' LEU . 49.9 m95 -90.54 139.68 30.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -127.22 150.91 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 9.9 p90 -134.28 150.73 51.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -50.14 109.67 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.89 -164.69 20.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -63.52 -44.05 95.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.6 -66.87 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 40.1 m95 -137.56 138.54 39.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -129.89 167.97 17.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.39 154.8 19.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -77.12 -65.35 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -177.97 -81.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -172.73 -39.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -78.56 -57.89 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.8 m -42.95 -35.76 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' LEU . 75.3 p -78.6 -42.87 27.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -26.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -85.25 -40.8 16.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 73' ' ' ALA . 49.5 mt -55.33 -58.14 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.58 -44.38 69.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -45.49 93.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.476 ' CB ' ' HB ' ' A' ' 62' ' ' THR . . . -67.75 -61.92 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -43.06 -45.33 5.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.455 ' C ' ' N ' ' A' ' 58' ' ' GLY . 1.5 t -69.56 -63.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -40.15 -29.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 116.36 -8.11 18.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -54.09 104.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -51.22 -27.13 8.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.501 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 4.9 p30 -157.3 149.76 23.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.476 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 5.8 t -122.35 142.59 50.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.25 123.29 39.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.86 157.02 27.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 tp -121.8 105.84 10.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.56 HG13 ' CD2' ' A' ' 71' ' ' TYR . 12.0 mm -87.52 172.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -41.21 92.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 50.77 49.06 42.51 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.438 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 7.2 m-85 -157.55 107.07 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 111.038 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.425 ' N ' HD23 ' A' ' 70' ' ' LEU . 4.6 mm? -70.07 115.01 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 82' ' ' ARG . 9.7 m-85 -121.1 158.7 27.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.562 HG12 ' CE1' ' A' ' 81' ' ' TYR . 63.0 t -136.94 120.38 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.469 ' CB ' HD22 ' A' ' 51' ' ' LEU . . . -102.08 109.11 20.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.473 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 9.8 t0 -92.45 127.42 37.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.594 HD13 ' CZ3' ' A' ' 32' ' ' TRP . 0.2 OUTLIER -93.99 -38.35 11.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.43 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 0.9 OUTLIER -48.31 -41.08 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -102.06 -14.19 17.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.452 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 2.1 tpt 67.36 47.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.452 ' CG1' ' C ' ' A' ' 78' ' ' MET . 1.2 m -152.54 147.34 14.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -114.79 133.95 55.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE1' HG12 ' A' ' 72' ' ' VAL . 2.9 p90 -130.48 158.84 38.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -77.36 138.58 39.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.401 ' CG ' HG22 ' A' ' 72' ' ' VAL . 3.6 mtp180 -56.2 -73.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.27 -49.61 69.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -97.12 75.58 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -55.68 -18.91 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.615 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.89 -54.99 21.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.33 111.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 110.357 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.442 ' HA ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -148.17 157.29 43.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -147.19 149.02 32.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -74.48 144.51 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.8 pt -129.56 161.11 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.01 135.32 13.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.448 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 8.8 ttp180 -94.72 111.83 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -109.05 -177.18 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 8.8 mt -124.32 136.68 59.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 98' ' ' ASP . 3.0 mm -103.52 146.84 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.51 ' CB ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER 33.37 62.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 98' ' ' ASP . 2.8 pp -37.71 146.71 0.26 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 149.97 37.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.547 1.814 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.08 -13.0 31.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -82.13 -27.08 32.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.02 -55.63 25.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.5 t 61.97 144.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.2 t -67.65 157.71 33.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.15 110.87 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.27 176.68 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 73.5 m 58.46 159.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -95.91 113.71 25.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.06 149.24 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.08 87.97 0.19 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -168.9 106.58 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m 62.91 165.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.2 -67.21 2.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -114.72 110.05 19.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.53 65.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.64 101.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 5.3 tttp 70.2 143.99 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 11' ' ' LYS . 18.2 Cg_endo -75.01 -168.15 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.56 1.821 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -40.94 151.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.76 2.48 51.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mt -139.11 -178.94 5.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.17 164.99 13.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.85 21.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -81.3 -34.39 31.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.76 -38.48 78.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -51.36 -23.7 3.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 23' ' ' ALA . 11.1 mmmt -66.19 -46.07 78.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.73 -28.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' N ' ' C ' ' A' ' 21' ' ' LYS . . . -55.94 -53.86 51.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -50.76 72.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -13.83 33.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 28' ' ' GLY . . . -39.96 -40.08 1.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -42.03 -27.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 26' ' ' GLY . . . -41.05 -72.19 0.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -148.92 -170.32 3.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.795 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.474 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 23.2 p90 -119.83 140.64 50.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.479 ' HB3' ' CG1' ' A' ' 97' ' ' ILE . . . -113.93 -179.98 3.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CH2' HD21 ' A' ' 75' ' ' LEU . 59.3 m95 -124.19 150.69 44.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' ' 95' ' ' ASP . 20.5 m-85 -143.46 157.4 44.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.579 ' CD2' ' O ' ' A' ' 35' ' ' GLU . 9.2 p90 -127.39 153.9 45.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.579 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 42.4 tt0 -56.63 137.9 53.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.72 -147.33 5.22 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.06 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -58.04 -51.76 68.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.87 -94.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.458 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 66.7 m95 -119.62 128.95 54.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -112.54 155.08 24.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.033 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.54 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.6 tt0 -90.25 145.83 24.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.448 ' CE1' ' HB3' ' A' ' 34' ' ' TYR . 65.3 m-85 -66.79 -70.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.9 -71.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 177.3 -40.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.9 mmt-85 -75.8 -52.31 10.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 m -45.11 -43.58 9.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' LEU . 26.3 p -71.79 -47.73 51.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.421 ' HA ' ' CG ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -43.36 -28.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -90.12 -35.94 15.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.462 HD21 ' CG2' ' A' ' 62' ' ' THR . 56.4 mt -70.95 -37.87 72.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -68.71 -38.38 80.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.05 -52.07 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' PHE . . . -53.04 -69.1 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ALA . 28.5 t80 -37.35 -49.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -65.83 -64.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' SER . 6.7 mtmt -39.9 -38.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.75 -16.77 5.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -54.7 138.01 42.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -85.23 -56.25 3.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -109.68 164.49 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.462 ' CG2' HD21 ' A' ' 51' ' ' LEU . 9.0 t -155.15 122.33 5.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.78 128.3 34.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.12 117.61 22.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 tp -87.8 100.96 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.711 ' CD1' ' CD2' ' A' ' 71' ' ' TYR . 9.5 mt -82.38 177.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.443 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -45.52 91.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 54.39 40.61 69.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.25 94.96 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.035 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.96 117.25 11.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.711 ' CD2' ' CD1' ' A' ' 66' ' ' ILE . 12.4 m-85 -119.11 160.83 21.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.579 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 49.9 t -136.97 130.11 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.511 ' HB3' ' CG ' ' A' ' 80' ' ' GLN . . . -105.74 141.0 37.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -130.64 103.51 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.58 HD21 ' CH2' ' A' ' 32' ' ' TRP . 11.6 mt -73.5 -38.58 65.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.08 -46.32 4.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -102.05 -13.39 17.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.406 ' C ' HG12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER 69.6 41.11 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.458 HG12 ' CG ' ' A' ' 91' ' ' LYS . 5.8 m -136.4 156.96 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.511 ' CG ' ' HB3' ' A' ' 73' ' ' ALA . 4.0 mt-30 -124.6 126.15 45.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.579 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 19.7 p90 -131.24 150.89 51.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 1.0 OUTLIER -59.8 149.18 31.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.459 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -59.73 -70.1 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -64.61 -56.93 10.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 3.0 mt-10 -87.76 100.97 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -75.7 -30.98 59.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.554 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.98 -47.59 39.97 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.98 109.6 7.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.723 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.439 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -157.33 170.78 21.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -159.32 147.2 17.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.458 ' CG ' HG12 ' A' ' 79' ' ' VAL . 12.0 mttt -68.43 144.28 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.406 HG12 ' C ' ' A' ' 78' ' ' MET . 12.3 pt -118.08 164.63 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.458 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 6.2 pttt -151.48 165.46 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -108.5 121.98 46.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.571 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . 5.8 t70 -103.64 -179.96 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.468 ' O ' ' CD1' ' A' ' 97' ' ' ILE . 13.0 mm -119.58 123.69 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.479 ' CG1' ' HB3' ' A' ' 31' ' ' ALA . 7.5 mm -143.35 -127.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.433 ' H ' ' CG2' ' A' ' 97' ' ' ILE . 12.2 p-10 -179.27 95.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.452 ' CG2' ' HD2' ' A' ' 100' ' ' PRO . 4.9 mp -113.89 142.37 27.71 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 99' ' ' ILE . 18.4 Cg_endo -75.0 124.63 8.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 102' ' ' LYS . 14.1 ttmt -95.32 -65.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -40.32 -61.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.76 -45.26 2.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.415 HG11 ' NE ' ' A' ' 49' ' ' ARG . 70.4 t -66.51 -65.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.2 t -154.03 143.27 21.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.93 131.15 10.32 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 109.91 3.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.1 p -84.26 95.49 8.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.1 m -75.58 159.97 30.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 110.959 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -169.42 139.39 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -169.46 164.81 10.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.24 164.93 32.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -160.85 145.28 13.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.756 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.44 166.39 16.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.24 122.72 1.77 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -158.3 173.29 16.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tp -111.9 -65.99 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.5 t0 62.0 132.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -107.11 145.99 32.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.31 22.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.4 m -137.41 167.09 22.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.03 157.03 13.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pp -44.61 165.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -130.97 178.91 1.51 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.4 Cg_endo -74.97 -13.57 21.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -80.77 -42.13 22.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -33.21 22.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -67.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -18.99 62.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.89 -27.86 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' ARG . . . -68.05 -44.67 75.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 t -41.41 -28.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.9 ptt180 -40.2 -31.67 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' OD1' ' A' ' 98' ' ' ASP . . . -50.45 -20.93 4.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -57.79 -16.77 12.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.495 ' HA2' ' CB ' ' A' ' 98' ' ' ASP . . . 158.29 101.74 0.18 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' O ' HG21 ' A' ' 96' ' ' ILE . 2.3 tt0 -169.94 -155.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.252 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 33.7 p90 -110.01 168.84 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.99 137.46 7.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.585 ' CH2' ' CD2' ' A' ' 75' ' ' LEU . 33.8 m95 -94.32 163.2 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.015 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.452 ' HB2' ' CG ' ' A' ' 93' ' ' LYS . 41.1 m-85 -144.32 161.89 37.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 41' ' ' TRP . 17.4 p90 -137.44 146.67 44.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.06 108.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.67 -179.7 18.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.16 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.42 -39.97 64.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.3 -69.04 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -136.2 111.73 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 14.0 m95 -97.08 147.2 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.007 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.7 tt0 -88.38 163.03 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CD1' HG21 ' A' ' 47' ' ' THR . 42.8 m-85 -87.43 -171.37 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -78.23 -65.85 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 177.33 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -67.0 -50.09 63.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.565 HG21 ' CD1' ' A' ' 43' ' ' TYR . 1.9 m -43.34 -54.53 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' LEU . 60.9 p -61.16 -48.5 81.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.57 -26.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -91.22 -35.36 14.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.572 ' CD2' ' CB ' ' A' ' 73' ' ' ALA . 95.9 mt -59.41 -50.6 73.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.543 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 15.1 tt0 -58.47 -60.19 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.82 -54.3 3.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.33 -64.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -42.58 -44.03 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.91 -66.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -40.66 -38.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.45 -9.16 13.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -50.95 134.84 25.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -77.44 -53.22 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -113.25 145.3 41.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.475 HG21 ' CB ' ' A' ' 73' ' ' ALA . 12.2 t -127.87 163.72 23.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -110.4 149.15 30.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.492 ' CE ' ' NE2' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -155.16 121.63 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.49 102.45 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.612 HG13 ' CD2' ' A' ' 71' ' ' TYR . 4.4 mm -90.16 176.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' ILE . . . -37.43 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 43.51 50.99 6.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.482 ' CE1' ' NH2' ' A' ' 82' ' ' ARG . 13.6 m-85 -161.44 115.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.482 ' CD1' ' HG3' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -74.28 115.63 14.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.612 ' CD2' HG13 ' A' ' 66' ' ' ILE . 14.7 m-85 -119.35 166.18 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.5 m -139.06 141.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.572 ' CB ' ' CD2' ' A' ' 51' ' ' LEU . . . -109.4 114.08 27.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.513 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.6 t0 -96.15 102.54 14.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.585 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 4.3 mt -73.84 -19.97 60.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -53.99 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -100.85 -3.96 28.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 tpt 68.74 44.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 m -149.33 144.97 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.526 ' NE2' ' HH ' ' A' ' 43' ' ' TYR . 3.2 pt20 -113.75 145.07 41.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 4.2 p90 -144.3 160.65 40.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.482 ' NH2' ' CE1' ' A' ' 69' ' ' PHE . 9.6 mtt180 -61.19 147.69 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HG2' ' CG1' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -48.66 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' HIS . 11.3 t30 -74.29 -52.67 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -63.25 74.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 84' ' ' ASN . 72.0 m-70 -56.95 -17.37 9.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.64 -65.17 2.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.4 mtt85 -52.6 109.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.493 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -151.58 158.66 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -156.73 153.19 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.246 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -71.93 152.26 42.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.404 ' CG2' ' OH ' ' A' ' 43' ' ' TYR . 3.4 pt -132.56 155.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 8.5 pttt -147.06 162.08 39.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.421 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 12.1 ttp180 -116.01 115.0 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -117.79 159.89 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.411 HG21 ' O ' ' A' ' 29' ' ' GLU . 12.3 mm -104.59 134.92 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.6 mm -107.52 138.84 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.495 ' CB ' ' HA2' ' A' ' 28' ' ' GLY . 1.0 OUTLIER 42.37 54.52 4.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.479 ' C ' ' O ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -34.1 118.44 0.51 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.28 7.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.12 -51.43 4.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -49.39 13.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -37.38 -64.28 0.73 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.12 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.6 p -48.92 128.01 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 t -179.44 117.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.971 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -105.62 153.27 17.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 175.24 11.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.778 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.8 p -100.83 -65.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.4 t 57.8 109.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.43 1.081 . . . . 0.0 111.014 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.39 170.39 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.69 140.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.3 162.63 21.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.536 1.147 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.42 -60.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.08 155.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.45 178.93 3.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -173.65 114.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 111.044 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.89 140.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -174.97 88.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -156.45 127.87 3.76 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.538 1.81 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.9 m -149.03 166.68 27.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.05 19.89 7.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 71.63 173.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -107.44 162.72 18.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -8.95 20.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -84.44 -31.7 24.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.57 -39.48 84.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.63 -29.41 4.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.43 -25.4 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.35 -40.86 37.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.09 -28.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ARG . 55.0 m -57.53 -61.96 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.172 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' C ' ' N ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -37.84 -42.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -40.64 -28.16 0.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.057 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 25' ' ' ARG . 13.4 t30 -48.5 -38.44 20.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.558 ' O ' ' CG ' ' A' ' 29' ' ' GLU . . . 135.43 102.32 0.69 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.558 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 5.9 mt-10 -169.09 -110.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.525 ' CE2' ' OE2' ' A' ' 52' ' ' GLU . 50.8 p90 -159.57 160.9 34.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.35 125.93 26.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.473 ' CB ' HD13 ' A' ' 51' ' ' LEU . 53.6 m95 -89.83 127.61 36.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.046 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 32.1 m-85 -115.63 155.92 26.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -137.28 149.6 47.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.74 127.73 31.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.35 -141.97 8.77 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 -48.36 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -94.01 -58.01 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -137.13 -144.65 4.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.147 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -90.05 144.35 25.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.409 ' CE3' ' HA ' ' A' ' 41' ' ' TRP . 7.9 m95 -121.36 156.93 31.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -97.4 156.11 16.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.515 ' CD1' HG21 ' A' ' 47' ' ' THR . 47.8 m-85 -84.24 -171.06 3.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -80.19 -66.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 176.87 -51.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.453 ' CG ' ' N ' ' A' ' 47' ' ' THR . 31.9 ptt180 -65.15 -49.54 69.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.515 HG21 ' CD1' ' A' ' 43' ' ' TYR . 1.5 m -44.94 -42.3 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.6 m -71.68 -44.79 63.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -25.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.28 -37.65 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.499 ' CD2' ' CB ' ' A' ' 73' ' ' ALA . 85.7 mt -54.41 -52.71 60.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.525 ' OE2' ' CE2' ' A' ' 30' ' ' TYR . 15.0 tt0 -65.13 -55.36 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -44.31 -49.81 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.05 -58.28 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -42.05 -52.23 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.26 -57.26 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.435 ' HE3' ' CE ' ' A' ' 59' ' ' LYS . 4.7 mmmt -47.72 -42.14 24.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.14 -7.68 16.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' CE ' ' HE3' ' A' ' 57' ' ' LYS . 57.5 mttm -48.09 139.68 7.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.46 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 4.4 mptt -76.44 -54.93 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -117.49 150.8 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.474 ' CG2' ' HB1' ' A' ' 73' ' ' ALA . 11.1 t -129.27 141.88 50.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -86.69 114.91 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -125.2 125.54 43.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.7 tp -99.99 112.48 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.576 ' O ' ' N ' ' A' ' 68' ' ' GLY . 1.8 mt -100.03 -169.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' ILE . . . -36.5 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 37.24 44.48 1.11 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.557 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.5 m-85 -143.85 121.39 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.764 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -78.0 108.36 11.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.557 ' CE2' ' HB3' ' A' ' 69' ' ' PHE . 15.0 m-85 -119.09 165.37 14.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.8 m -140.02 132.02 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.499 ' CB ' ' CD2' ' A' ' 51' ' ' LEU . . . -99.11 116.62 31.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 19.2 t0 -100.36 101.78 12.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 mt -70.78 -37.12 73.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.46 ' HG3' ' CG ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -46.55 -43.58 17.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -102.01 -12.49 18.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.422 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 4.3 tpt 70.17 38.1 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' CG1' ' C ' ' A' ' 78' ' ' MET . 1.1 m -149.77 146.52 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.428 ' CB ' ' HA ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -112.03 148.7 33.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 3.4 p90 -148.24 159.23 44.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -61.28 144.93 52.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.27 -73.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -75.28 -51.05 14.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 87' ' ' GLY . 1.5 mm-40 -74.65 60.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.55 -26.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 85' ' ' GLU . . . -49.6 -66.48 2.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -55.15 113.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 0.737 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.495 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 1.1 ptp180 -152.1 162.58 40.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.83 150.0 9.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -66.95 155.71 37.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.5 pt -132.6 157.75 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.47 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -153.65 166.01 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -131.08 109.04 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -107.33 116.23 31.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.417 ' CG2' HG21 ' A' ' 99' ' ' ILE . 56.5 mt -53.76 142.55 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.575 ' O ' ' C ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -110.41 136.3 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.575 ' C ' ' O ' ' A' ' 97' ' ' ILE . 42.7 t0 26.16 66.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.417 HG21 ' CG2' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -38.39 136.71 0.85 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 173.76 13.95 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.552 1.817 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -98.18 -69.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -29.33 6.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -48.52 -54.04 14.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.445 1.091 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.7 t 63.67 129.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 0.73 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.4 m -41.75 -57.32 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 160.6 131.98 1.29 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.35 3.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.3 t -83.33 165.0 19.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.953 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.6 p -91.09 170.4 10.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -129.34 158.97 37.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 178.3 145.89 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.951 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.86 -136.54 3.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m 61.1 161.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.059 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.02 143.24 27.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.958 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.34 -119.6 2.92 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 47.09 36.66 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.86 -168.38 3.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.2 t70 176.72 58.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -117.99 88.08 30.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.35 36.48 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.517 1.798 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.0 m -142.48 169.52 17.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.394 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 175.18 126.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pp -49.97 174.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.25 170.42 7.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -9.32 20.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -90.99 -36.96 13.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.91 -28.75 58.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.8 -44.39 32.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -43.54 77.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.4 -30.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.58 -66.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.0 m -97.68 -60.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -41.49 -36.08 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.509 ' O ' ' CG2' ' A' ' 96' ' ' ILE . . . -45.03 -24.97 0.89 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -57.12 -16.41 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.66 -76.81 0.12 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -146.16 -148.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.3 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.501 ' CD1' ' NH1' ' A' ' 94' ' ' ARG . 23.5 p90 -141.29 154.01 45.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.49 ' HB3' ' CG1' ' A' ' 97' ' ' ILE . . . -127.28 173.54 9.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.553 ' CH2' ' CD2' ' A' ' 75' ' ' LEU . 34.0 m95 -117.78 145.1 44.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 107.996 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 31.2 m-85 -133.68 161.13 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 41' ' ' TRP . 31.9 p90 -130.35 156.37 44.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.34 109.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -113.97 -160.93 13.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.07 -64.82 0.77 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -54.84 -40.01 69.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.84 -70.72 0.2 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -130.19 126.41 37.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.426 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 6.5 m95 -116.45 150.38 37.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.559 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.1 tt0 -89.44 161.02 16.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.406 ' OH ' ' CG2' ' A' ' 92' ' ' ILE . 48.1 m-85 -89.45 -175.98 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.8 -74.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -176.54 -41.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -70.01 -48.8 56.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -42.63 -54.8 3.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.7 p -60.1 -40.72 90.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -29.14 35.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -89.6 -25.96 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.21 -57.38 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.89 -50.81 65.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -51.63 -56.79 11.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.21 -63.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.405 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . 26.5 t80 -39.0 -45.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 t -65.79 -56.22 13.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -52.15 -41.05 62.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.26 -9.41 17.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -43.31 123.93 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.94 -55.05 21.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -114.26 141.59 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.518 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 0.6 OUTLIER -123.04 153.51 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -110.74 146.99 35.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.19 120.68 3.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 tp -81.47 110.35 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.604 HG13 ' CD2' ' A' ' 71' ' ' TYR . 3.7 mm -97.94 176.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -38.06 92.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 43.83 50.13 7.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 68' ' ' GLY . 11.6 m-85 -166.09 109.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.433 HD21 ' N ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -73.07 120.02 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.604 ' CD2' HG13 ' A' ' 66' ' ' ILE . 18.8 m-85 -119.46 161.67 20.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.639 HG21 ' CE2' ' A' ' 81' ' ' TYR . 3.2 m -137.11 144.07 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.482 ' HA ' ' CG ' ' A' ' 80' ' ' GLN . . . -111.82 124.05 51.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' MET . 0.7 OUTLIER -98.91 96.99 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.553 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 21.4 mt -66.85 -29.66 69.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.1 -52.05 47.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -102.66 -4.51 25.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER 63.58 55.96 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.507 ' CA ' HG12 ' A' ' 92' ' ' ILE . 2.5 m -138.83 -173.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.482 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 9.9 mt-30 -152.64 131.67 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.639 ' CE2' HG21 ' A' ' 72' ' ' VAL . 1.6 p90 -141.66 156.23 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.463 ' CZ ' ' HG3' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -65.34 163.89 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.452 ' HG2' ' CG1' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -73.11 -75.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -66.86 -53.66 30.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 4.5 mm-40 -84.72 83.13 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -60.48 -19.3 56.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.575 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.44 -65.02 3.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 64.5 mmt-85 -56.8 111.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.447 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 0.5 OUTLIER -162.53 172.05 16.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.61 169.32 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -84.08 152.86 24.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.507 HG12 ' CA ' ' A' ' 79' ' ' VAL . 7.8 pt -130.8 153.05 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -141.73 161.48 37.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.501 ' NH1' ' CD1' ' A' ' 30' ' ' TYR . 7.0 ttp85 -104.76 116.05 31.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -107.68 176.38 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 34.0 mm -96.45 143.93 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.49 ' CG1' ' HB3' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -125.15 161.11 29.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.19 61.58 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.448 ' CD1' HD11 ' A' ' 97' ' ' ILE . 14.2 mt -133.23 141.19 39.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.446 ' HD2' ' CG2' ' A' ' 99' ' ' ILE . 18.5 Cg_endo -74.99 80.66 2.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.09 -39.83 9.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -70.95 -50.32 35.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -43.99 -67.45 1.06 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.7 m -76.17 80.06 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.07 104.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -105.72 150.94 17.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.423 1.077 . . . . 0.0 111.059 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.49 9.84 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.0 t -151.15 145.09 25.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.7 -58.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -170.76 123.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -169.47 168.62 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.62 144.18 4.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p 178.94 78.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.81 170.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.43 151.24 18.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -102.96 152.42 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.9 mt -131.34 139.55 49.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -160.28 133.71 6.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.16 168.18 7.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 61.89 5.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.437 1.756 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.509 ' CG2' ' N ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER 55.1 -170.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.509 ' N ' ' CG2' ' A' ' 13' ' ' THR . 0.0 OUTLIER -106.98 -140.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 2.2 pp 43.62 -169.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.504 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER 177.71 178.09 0.25 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.997 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.4 Cg_endo -74.98 -11.15 21.5 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -91.05 -15.07 30.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -18.75 56.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.33 -40.73 70.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' A' ' 23' ' ' ALA . 8.8 mptt -49.91 -24.48 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.75 -29.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' N ' ' C ' ' A' ' 21' ' ' LYS . . . -62.04 -55.0 33.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -67.54 -45.85 74.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 21' ' ' LYS . 24.7 mtt-85 -49.32 -23.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -38.75 -39.22 0.82 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -58.9 -58.62 7.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.494 ' HA3' ' CG2' ' A' ' 97' ' ' ILE . . . 174.89 -74.96 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 3.9 mm-40 73.52 173.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 30' ' ' TYR . 10.0 p90 -45.52 147.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.65 133.88 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.551 ' CH2' HD22 ' A' ' 75' ' ' LEU . 93.3 m95 -91.31 135.68 33.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.019 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.517 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 28.3 m-85 -132.05 132.71 43.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 21.6 p90 -113.26 145.83 40.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.22 133.92 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.32 -164.1 10.29 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -51.44 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -67.08 -48.21 68.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.67 -76.06 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.138 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.587 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 80.8 m95 -127.58 130.03 48.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -119.31 150.03 40.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 108.039 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.3 OUTLIER -91.79 133.86 35.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 51.5 m-85 -60.39 179.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -68.07 -75.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -176.65 -56.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ARG . 27.4 ttt180 -61.88 -57.13 12.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -41.12 -32.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.41 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 51' ' ' LEU . 58.6 m -78.26 -44.63 25.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.05 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' ARG . 93.3 mtt180 -43.26 -31.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -80.85 -40.06 25.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' SER . 19.6 mt -58.34 -66.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.04 -45.11 7.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -52.74 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.98 -64.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.407 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 30.5 t80 -39.39 -51.01 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -62.0 1.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -42.26 -44.86 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.24 -11.21 7.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -48.59 134.25 15.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -82.52 -51.56 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -113.66 142.62 45.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 5.1 p -121.63 159.49 26.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -115.79 151.03 35.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.71 120.87 3.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 66' ' ' ILE . 1.8 tp -85.33 126.24 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.576 HG13 ' CD2' ' A' ' 71' ' ' TYR . 2.4 mm -118.84 -178.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 66' ' ' ILE . . . -37.99 92.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 40.84 46.82 3.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.504 ' CE1' ' NH1' ' A' ' 82' ' ' ARG . 8.5 m-85 -157.48 114.45 2.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.07 126.21 30.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CD2' HG13 ' A' ' 66' ' ' ILE . 23.8 m-85 -123.82 159.98 28.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.2 m -138.8 144.54 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -116.82 110.78 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.469 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 22.1 t0 -92.88 104.39 16.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.551 HD22 ' CH2' ' A' ' 32' ' ' TRP . 11.2 mt -74.66 -21.23 59.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.47 -53.27 56.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 78' ' ' MET . 40.1 m-80 -100.69 -3.58 29.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.444 ' C ' ' CG1' ' A' ' 92' ' ' ILE . 0.0 OUTLIER 66.23 47.7 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.419 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.3 m -150.97 144.7 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.31 149.64 35.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 1.4 p90 -148.36 159.29 44.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.504 ' NH1' ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -69.77 134.09 48.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -68.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.175 . . . . 0.0 110.304 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -54.83 -57.61 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 19.8 mp0 -101.43 98.57 8.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -64.81 -16.89 63.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.61 -66.34 2.73 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.64 113.22 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 0.798 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.18 164.0 38.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -159.75 157.57 29.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -76.07 156.05 34.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.444 ' CG1' ' C ' ' A' ' 78' ' ' MET . 7.7 pt -134.81 144.25 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.587 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -143.05 142.25 31.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.407 ' NH1' ' CE2' ' A' ' 55' ' ' PHE . 14.1 ttp180 -107.22 105.43 15.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -100.37 -172.43 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.7 mt -127.26 133.25 68.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.593 HG22 ' N ' ' A' ' 98' ' ' ASP . 11.8 mm -105.02 148.95 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.593 ' N ' HG22 ' A' ' 97' ' ' ILE . 11.2 t0 175.86 92.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.456 ' N ' HD13 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -56.07 113.91 6.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 59.98 5.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.03 -64.29 1.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -60.48 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -38.2 -68.23 0.45 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.7 p -123.02 150.62 27.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.83 83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.07 156.47 14.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 178.64 7.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.82 115.33 17.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.1 163.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.7 -64.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.6 161.7 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.58 -140.43 3.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.17 134.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 110.062 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.39 152.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.68 128.16 1.79 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 8' ' ' PHE . 8.8 p90 -176.78 103.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mt -159.33 115.95 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 178.26 138.63 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.39 67.04 0.44 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 165.73 30.7 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.0 m -101.75 166.04 10.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 175.61 107.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 pp -62.21 -167.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.446 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -144.81 175.06 2.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.162 . . . . 0.0 110.004 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.2 Cg_endo -75.0 -11.85 21.48 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.54 1.81 . . . . 0.0 111.038 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -86.41 -39.6 16.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.28 -36.67 53.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.69 -48.6 69.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -53.23 -34.76 58.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.34 -37.84 62.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.246 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.4 66.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.31 -34.29 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.014 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -50.27 -37.75 37.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' ' 97' ' ' ILE . . . -53.05 -18.82 6.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -55.26 -29.81 58.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.493 ' HA2' ' CB ' ' A' ' 98' ' ' ASP . . . 127.17 109.06 1.56 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.517 ' CG ' ' N ' ' A' ' 30' ' ' TYR . 18.1 tt0 171.19 160.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 0.796 . . . . 0.0 110.286 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.517 ' N ' ' CG ' ' A' ' 29' ' ' GLU . 18.7 p90 -60.12 146.13 44.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.81 144.83 25.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.582 ' CZ3' HD13 ' A' ' 75' ' ' LEU . 40.6 m95 -101.79 150.61 22.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 107.948 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 41.0 m-85 -134.53 134.92 41.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 20.8 p90 -116.35 140.83 48.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.62 110.39 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.14 -169.3 21.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -61.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -58.25 -40.17 81.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.01 -70.97 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -131.27 127.62 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.433 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 4.3 m95 -113.49 145.02 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 107.992 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -86.81 162.53 17.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.4 ' OH ' ' OE1' ' A' ' 80' ' ' GLN . 63.1 m-85 -90.44 -170.43 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.32 -69.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 175.69 -51.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -71.61 -54.52 10.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -41.17 -46.57 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.45 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 51' ' ' LEU . 77.5 p -70.79 -44.14 67.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -48.12 -33.61 8.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -75.49 -31.66 60.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.492 HD12 ' CG ' ' A' ' 32' ' ' TRP . 62.4 mt -61.58 -44.93 96.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.59 -63.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -41.44 -45.39 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.45 -64.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -43.21 -48.05 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.58 -62.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -44.51 -33.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LYS . . . 120.73 -8.68 10.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.417 ' C ' ' N ' ' A' ' 61' ' ' ASN . 8.9 mttp -51.92 94.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 0.805 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -42.21 -28.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.496 ' HA ' ' CD2' ' A' ' 75' ' ' LEU . 15.5 p30 -163.11 148.11 11.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.3 t -124.86 144.2 50.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -94.77 126.6 40.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.491 ' O ' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -118.59 166.94 12.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.9 tp -124.83 107.2 10.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.549 HG13 ' CD2' ' A' ' 71' ' ' TYR . 19.8 mm -87.29 170.9 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' N ' ' CG2' ' A' ' 66' ' ' ILE . . . -42.77 92.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 52.83 47.93 58.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -164.56 99.91 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 64' ' ' MET . 0.9 OUTLIER -67.38 121.31 15.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CD2' HG13 ' A' ' 66' ' ' ILE . 9.9 m-85 -121.09 165.71 14.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.523 HG13 ' CE1' ' A' ' 81' ' ' TYR . 23.0 t -133.66 121.11 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.469 ' HA ' ' CG ' ' A' ' 80' ' ' GLN . . . -101.56 120.93 41.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.49 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 42.8 t0 -104.71 125.55 50.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.582 HD13 ' CZ3' ' A' ' 32' ' ' TRP . 0.3 OUTLIER -92.3 -33.88 14.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.9 mt-10 -51.33 -43.45 61.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 78' ' ' MET . 3.4 m-80 -102.1 -8.95 20.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 62.69 49.13 3.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.469 ' N ' HG12 ' A' ' 92' ' ' ILE . 2.9 m -139.13 178.5 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.469 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 5.0 mt-30 -143.96 119.0 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.523 ' CE1' HG13 ' A' ' 72' ' ' VAL . 9.2 p90 -128.4 143.57 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -49.8 165.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.441 ' HD2' ' CD1' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -83.63 -53.64 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.07 -44.74 16.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -102.81 78.19 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -55.19 -28.78 55.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.54 -54.11 11.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.102 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 14.1 mtp-105 -71.52 111.89 7.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -153.44 173.34 15.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.68 169.3 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.26 135.2 33.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.469 HG12 ' N ' ' A' ' 79' ' ' VAL . 6.7 pt -124.37 147.71 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.5 137.21 28.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.413 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 25.6 ttp180 -95.83 111.25 23.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.65 145.9 47.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.466 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 13.7 mt -87.52 136.97 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.489 ' O ' ' C ' ' A' ' 98' ' ' ASP . 3.0 mm -103.15 144.87 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.493 ' CB ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER 33.51 55.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.453 ' CD1' ' N ' ' A' ' 99' ' ' ILE . 0.2 OUTLIER -37.21 122.79 0.87 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -171.81 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -77.79 -34.27 52.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -11.53 59.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.34 -60.36 7.21 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.2 p -64.43 141.17 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.4 t -159.87 173.29 16.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.005 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -113.66 106.81 1.81 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 179.41 6.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.528 1.804 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.4 p -149.26 171.15 16.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.43 -59.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.41 1.069 . . . . 0.0 110.947 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 p -170.51 170.54 6.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.1 160.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.55 132.02 2.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.86 171.12 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 0.719 . . . . 0.0 110.018 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.83 169.99 20.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.68 -177.18 38.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -177.54 148.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.66 174.68 14.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -177.93 154.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -149.02 120.51 4.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -175.35 2.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.3 p -113.24 -174.33 2.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.37 3.22 25.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.37 176.82 7.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.17 169.53 6.98 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -12.92 21.57 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.07 -43.91 15.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -60.29 -38.1 82.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.72 -55.51 16.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -54.61 -39.46 67.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.39 -54.52 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.95 -41.81 16.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -52.11 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.47 ' O ' ' CG2' ' A' ' 96' ' ' ILE . 97.5 mtt180 -44.49 -27.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.95 -48.3 73.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -100.81 -4.91 27.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.07 -83.31 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.22 -172.07 3.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -125.63 152.09 45.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.49 ' CB ' HG13 ' A' ' 97' ' ' ILE . . . -131.73 150.38 52.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.52 ' CD2' ' HB3' ' A' ' 51' ' ' LEU . 58.7 m95 -94.0 136.02 34.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.515 ' CE2' ' HG3' ' A' ' 42' ' ' GLN . 14.8 m-85 -124.39 154.3 40.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -141.05 141.62 34.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.61 116.98 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.12 -157.23 10.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -64.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -56.04 -44.6 78.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.92 -70.63 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -132.26 118.38 19.41 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -106.82 145.9 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 107.981 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.515 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -90.63 132.35 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -50.47 178.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 33.4 m-20 -64.18 -74.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 7.0 tt0 165.99 -28.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 47' ' ' THR . 5.0 ptp180 -80.78 -31.71 35.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.496 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 1.5 m -69.75 -60.74 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -39.79 -42.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -40.31 -29.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 48' ' ' SER . 41.1 mm-40 -94.36 -37.53 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HB3' ' CD2' ' A' ' 32' ' ' TRP . 3.9 mp -52.88 -46.81 68.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 11.3 pt-20 -71.2 -52.7 17.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.432 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 2.7 m-20 -48.65 -56.61 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.484 ' CB ' ' HB2' ' A' ' 59' ' ' LYS . . . -56.69 -66.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -38.26 -36.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.9 t -80.22 -61.27 2.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -45.45 -43.26 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.21 -16.98 4.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 41.4 mttm -44.4 105.13 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.99 -23.58 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.532 ' CB ' ' HA ' ' A' ' 74' ' ' ASP . 20.0 p30 -164.51 150.0 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.9 t -128.37 148.02 50.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -90.2 166.84 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.8 114.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.4 tp -84.97 102.0 12.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.655 ' CD1' ' CD2' ' A' ' 71' ' ' TYR . 3.6 mt -90.01 -177.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.448 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -38.55 93.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 42.51 47.41 5.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.488 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.5 m-85 -155.46 105.69 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.4 109.63 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.655 ' CD2' ' CD1' ' A' ' 66' ' ' ILE . 14.5 m-85 -109.89 159.47 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.577 HG12 ' CE1' ' A' ' 81' ' ' TYR . 47.0 t -136.78 116.13 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.9 121.14 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.532 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 43.6 t0 -101.88 133.81 46.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' A' ' 61' ' ' ASN . 0.3 OUTLIER -94.42 -36.46 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -43.72 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -101.7 -9.31 20.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.49 55.33 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.484 ' CA ' HG12 ' A' ' 92' ' ' ILE . 1.0 OUTLIER -146.53 -170.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.411 ' O ' ' HG3' ' A' ' 80' ' ' GLN . 2.9 pt20 -156.59 122.18 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.577 ' CE1' HG12 ' A' ' 72' ' ' VAL . 11.6 p90 -123.6 157.61 33.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -72.9 128.59 35.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.437 ' HG2' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -47.09 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.67 -58.56 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -102.53 102.31 12.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.494 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 5.2 t-160 -69.23 -25.98 64.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.595 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.16 -63.07 3.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.03 115.88 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.456 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 2.8 ptm180 -163.42 160.49 23.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.62 165.89 26.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -88.22 143.75 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.484 HG12 ' CA ' ' A' ' 79' ' ' VAL . 19.8 pt -120.66 161.94 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -154.07 141.31 19.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -91.25 114.35 26.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -107.52 173.82 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.516 ' O ' ' CD1' ' A' ' 97' ' ' ILE . 39.9 mt -104.33 129.51 56.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.516 ' CD1' ' O ' ' A' ' 96' ' ' ILE . 8.1 mm -136.54 -178.79 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.472 ' H ' ' CG2' ' A' ' 97' ' ' ILE . 0.1 OUTLIER -92.26 -66.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.406 ' O ' ' O ' ' A' ' 98' ' ' ASP . 0.2 OUTLIER 60.57 145.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 76.54 3.37 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.541 1.811 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -54.48 23.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.18 -48.76 34.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.65 -53.81 5.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.3 m -92.03 114.71 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 0.0 109.335 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.3 t -158.7 136.4 10.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.84 88.07 0.14 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.8 4.05 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.15 168.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 74.4 p -160.11 168.36 25.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.009 -0.419 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 p 178.07 122.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.947 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.83 169.13 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.4 149.02 14.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.39 169.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.978 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 t -176.65 162.36 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.26 139.65 4.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -172.67 135.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.28 125.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -152.6 168.73 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.09 148.71 17.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 163.66 34.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.554 1.818 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.8 m -148.46 160.33 43.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -144.12 167.4 22.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -46.97 164.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.409 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -101.7 172.9 3.98 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.4 Cg_endo -75.01 -11.53 21.45 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -89.03 -47.49 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' O ' ' CB ' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -42.48 -49.11 5.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.92 -51.88 15.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -35.46 75.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 19' ' ' GLU . . . -50.43 -38.63 44.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.59 -31.24 65.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.89 -25.02 67.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -93.44 -22.95 18.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.448 ' O ' ' OD1' ' A' ' 98' ' ' ASP . . . -70.91 -1.38 39.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -86.55 -4.12 59.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 0.803 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.563 ' CA ' ' OD2' ' A' ' 98' ' ' ASP . . . 107.39 108.28 3.26 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.478 ' O ' ' HB ' ' A' ' 97' ' ' ILE . 0.4 OUTLIER -173.24 152.03 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 0.811 . . . . 0.0 110.304 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 30' ' ' TYR . 1.9 p90 -60.35 166.48 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -166.8 149.12 6.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.439 ' CH2' HD23 ' A' ' 75' ' ' LEU . 48.5 m95 -102.18 149.27 24.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 107.994 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.494 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 31.6 m-85 -131.58 150.0 52.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.486 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 9.6 p90 -135.58 147.0 48.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.481 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -37.6 136.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.87 -171.07 13.95 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.83 -32.09 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -101.04 -47.13 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -155.13 -101.76 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -117.74 131.21 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.486 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 10.0 m95 -109.5 140.11 43.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -90.76 155.62 18.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.554 ' CD1' HG23 ' A' ' 47' ' ' THR . 49.0 m-85 -78.89 -176.58 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -77.98 -66.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 177.36 -36.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -79.47 -53.89 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.554 HG23 ' CD1' ' A' ' 43' ' ' TYR . 22.5 m -47.14 -38.38 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.3 p -74.92 -42.45 57.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -24.05 17.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -90.56 -20.87 22.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.541 ' CD1' ' CE2' ' A' ' 43' ' ' TYR . 77.1 mt -75.69 -38.6 58.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.58 -54.99 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -45.62 -49.54 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.25 -68.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -40.19 -45.0 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -66.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -41.37 -43.72 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.36 -11.41 5.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -59.64 111.93 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -63.31 -46.45 86.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.68 151.26 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.409 ' CG2' HD21 ' A' ' 51' ' ' LEU . 4.8 t -140.69 119.88 12.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -81.95 126.25 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.407 ' CE ' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -130.58 125.69 34.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.995 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.9 tp -87.61 115.2 24.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.564 HG13 ' CD2' ' A' ' 71' ' ' TYR . 4.9 mm -97.77 176.46 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.426 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -40.84 93.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 46.98 47.32 19.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -160.87 101.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' CD1' ' HD2' ' A' ' 83' ' ' ARG . 0.7 OUTLIER -69.21 124.87 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.564 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.3 m-85 -124.81 163.53 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.405 ' CG2' ' HG3' ' A' ' 83' ' ' ARG . 98.7 t -138.62 115.07 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.407 ' HB1' ' CE ' ' A' ' 64' ' ' MET . . . -90.87 115.41 27.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.476 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 7.8 t0 -99.79 107.96 20.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.439 HD23 ' CH2' ' A' ' 32' ' ' TRP . 15.7 mt -75.7 -28.1 58.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.36 -47.64 56.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.083 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -101.61 -5.64 24.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 tpt 66.43 38.62 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -145.54 147.53 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.72 137.89 51.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 3.3 p90 -133.23 150.7 51.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -59.88 135.51 57.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.46 ' HD2' ' CD1' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -52.16 -57.51 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -81.71 -49.81 10.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 2.7 tt0 -89.47 72.73 7.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -53.86 -34.5 59.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.586 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.78 -50.76 25.38 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -72.54 113.3 9.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.87 166.92 29.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.48 156.4 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.81 153.14 38.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.8 pt -132.63 152.99 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -155.28 135.15 12.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -93.37 121.85 35.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.01 175.16 9.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.514 ' CG2' ' HA ' ' A' ' 100' ' ' PRO . 1.1 mm -102.16 151.79 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.478 ' HB ' ' O ' ' A' ' 29' ' ' GLU . 2.9 mm -116.47 137.36 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.563 ' OD2' ' CA ' ' A' ' 28' ' ' GLY . 7.5 t70 59.41 69.19 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 3.6 mm 66.86 130.3 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.514 ' HA ' ' CG2' ' A' ' 96' ' ' ILE . 18.3 Cg_endo -75.04 119.68 5.74 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.431 ' CG ' ' N ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -98.25 -54.9 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 19.0 ptmt -90.92 -47.69 7.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -37.39 -63.43 0.81 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.449 HG23 ' CG ' ' A' ' 100' ' ' PRO . 74.3 t -83.69 101.18 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 t -157.6 148.44 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.43 140.34 20.39 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.56 1.163 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.43 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.45 1.763 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.72 159.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.8 m -131.11 136.64 48.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.93 166.11 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.81 165.29 18.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.74 -147.88 10.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.83 168.28 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.14 161.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.999 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.38 142.81 4.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.546 1.153 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -171.45 61.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.763 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.56 170.46 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 171.99 132.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.36 146.97 61.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.45 6.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.558 1.82 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 14' ' ' LEU . 1.4 t -91.56 174.52 7.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' A' ' 15' ' ' LEU . 1.4 tt 74.84 21.5 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 16' ' ' SER . 4.6 pp 39.68 -161.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.48 ' O ' ' CD1' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -127.27 175.11 3.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.954 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.445 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.0 Cg_endo -75.02 -16.32 20.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -73.43 -31.55 63.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.343 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.71 -11.93 56.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.83 -50.68 7.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -70.53 -26.88 63.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.83 -28.09 14.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.33 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' LYS . 1.3 m -79.48 -32.19 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -68.0 -13.77 62.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.51 -15.62 18.18 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.407 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 18.6 p-10 -67.42 -10.05 47.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 177.9 90.87 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.442 ' O ' ' HB ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -170.23 149.56 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.407 ' CE1' ' CB ' ' A' ' 52' ' ' GLU . 33.7 p90 -62.17 162.24 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.98 153.98 21.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.573 ' CH2' ' CD2' ' A' ' 75' ' ' LEU . 37.8 m95 -112.08 152.52 28.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 37.7 m-85 -133.43 155.13 50.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 41' ' ' TRP . 21.5 p90 -137.83 136.35 37.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -37.91 109.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.433 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -100.24 -158.82 28.16 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -82.24 -45.75 14.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 0.735 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -77.88 -41.19 37.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.73 -81.84 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -128.64 118.74 23.44 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.554 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 4.6 m95 -98.1 143.92 28.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.3 tt0 -94.08 121.89 36.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 90.6 m-85 -42.25 -61.93 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.8 t0 174.11 -78.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -178.78 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -81.27 -60.31 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.2 m -45.87 -38.03 6.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 p -77.27 -36.31 54.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -20.54 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -91.14 -34.31 15.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.42 HD23 ' CG2' ' A' ' 62' ' ' THR . 58.6 mt -60.77 -35.75 77.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' CB ' ' CE1' ' A' ' 30' ' ' TYR . 3.7 tp10 -71.93 -55.33 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -47.44 52.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.2 -70.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.488 ' CE1' ' NH1' ' A' ' 94' ' ' ARG . 13.8 t80 -45.85 -30.66 1.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.1 t -77.86 -63.35 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -44.56 -40.8 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.96 -13.62 3.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -66.63 111.31 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.485 ' HB3' ' CG ' ' A' ' 76' ' ' GLU . 69.3 mmtt -76.68 -46.12 26.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.18 114.56 28.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.42 ' CG2' HD23 ' A' ' 51' ' ' LEU . 9.0 t -115.37 119.55 36.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -91.45 137.17 32.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.446 ' CE ' ' HB3' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -130.97 123.77 29.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.98 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.4 tt -86.76 101.18 13.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' A' ' 68' ' ' GLY . 39.8 mm -78.95 170.07 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.431 ' N ' ' CG2' ' A' ' 66' ' ' ILE . . . -45.92 90.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 59.37 44.7 96.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.456 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -160.09 96.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.55 107.53 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.614 ' CE1' ' CG ' ' A' ' 82' ' ' ARG . 9.2 m-85 -107.61 156.08 19.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.539 HG12 ' CE1' ' A' ' 81' ' ' TYR . 27.4 t -131.91 124.66 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.446 ' HB3' ' CE ' ' A' ' 64' ' ' MET . . . -107.36 111.07 23.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.9 116.47 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.573 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 2.8 mt -88.55 -32.11 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.485 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -57.05 -39.64 75.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -101.36 -2.91 29.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.46 42.19 24.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 80' ' ' GLN . 2.7 t -142.16 167.52 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.557 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 9.3 pt20 -137.86 134.21 34.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.539 ' CE1' HG12 ' A' ' 72' ' ' VAL . 8.3 p90 -139.87 156.95 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.614 ' CG ' ' CE1' ' A' ' 71' ' ' TYR . 26.6 mtt180 -81.61 138.49 35.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -59.1 5.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.8 -51.67 60.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -95.58 70.12 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -43.52 -41.74 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.567 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.01 -58.16 11.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.596 1.185 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.81 110.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 3.6 ptm180 -159.08 174.31 15.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -169.08 156.24 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.529 ' HG2' ' CG2' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -69.33 153.89 42.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.5 pt -138.47 147.68 25.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -147.68 135.55 21.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.488 ' NH1' ' CE1' ' A' ' 55' ' ' PHE . 31.9 ttp180 -93.48 122.82 36.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.71 169.2 15.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.5 mt -100.66 138.25 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.442 ' HB ' ' O ' ' A' ' 29' ' ' GLU . 2.9 mm -107.74 149.02 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 39.7 t0 174.62 66.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 100' ' ' PRO . 3.2 mt 63.97 142.58 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 99' ' ' ILE . 18.4 Cg_endo -74.98 51.87 2.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.552 1.817 . . . . 0.0 111.059 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -98.12 -46.94 5.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -61.24 -29.38 69.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -36.99 -65.15 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.5 m -82.44 -34.98 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.82 -172.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -152.4 -94.89 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 141.91 27.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 69.8 p -160.44 167.32 27.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.01 138.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.62 129.09 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -101.99 81.21 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.24 107.36 0.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -174.99 171.52 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.9 m -153.05 158.86 42.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.563 ' C ' ' CD1' ' A' ' 8' ' ' PHE . . . -147.85 -148.28 4.71 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.563 ' CD1' ' C ' ' A' ' 7' ' ' GLY . 2.5 m-85 -160.23 61.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 176.94 118.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER 171.91 165.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -177.47 95.91 0.23 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 163.48 35.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 t -178.1 -55.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -90.24 18.24 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 16' ' ' SER . 1.2 mt 71.91 -108.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.592 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER 85.55 -176.64 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.963 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.592 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.2 Cg_endo -75.01 -8.01 19.67 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -91.46 -18.06 24.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -77.17 -26.56 53.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.333 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -60.34 -33.62 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -41.7 -29.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' LEU . . . -47.17 -62.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.4 -23.03 22.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 26' ' ' GLY . 0.9 OUTLIER -72.13 -8.26 53.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 27' ' ' ASN . 15.2 ptt180 -39.6 -29.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -38.21 -30.43 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -52.68 -61.84 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.98 71.78 0.84 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.476 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 23.2 mm-40 -108.2 88.88 2.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.603 ' CE2' ' HD2' ' A' ' 94' ' ' ARG . 0.1 OUTLIER -43.19 147.12 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.519 ' CB ' ' CG1' ' A' ' 97' ' ' ILE . . . -158.9 127.96 5.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.582 ' CH2' HD21 ' A' ' 75' ' ' LEU . 29.6 m95 -105.65 137.04 44.17 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.483 ' HB2' ' CG ' ' A' ' 93' ' ' LYS . 33.4 m-85 -115.95 159.42 21.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 28.8 p90 -137.85 154.88 49.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -44.13 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.535 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -98.28 163.4 21.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -47.48 66.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.1 -32.24 64.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.79 -67.75 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -135.15 131.93 37.42 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.535 ' CD1' ' HA3' ' A' ' 36' ' ' GLY . 9.2 m95 -121.45 136.34 54.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 107.989 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -75.28 149.98 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 33.2 m-85 -80.96 -175.32 5.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 3.2 t70 -73.0 -86.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' OE1' ' CE2' ' A' ' 8' ' ' PHE . 10.3 tt0 177.54 -33.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 49' ' ' ARG . 14.0 ptp180 -67.86 -38.41 83.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.479 HG22 ' CD1' ' A' ' 51' ' ' LEU . 1.7 m -74.91 -64.88 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -39.98 -33.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -49.91 -30.16 9.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.455 ' CG ' HD13 ' A' ' 51' ' ' LEU . 6.1 pt-20 -94.63 -36.19 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.486 HD23 ' CB ' ' A' ' 32' ' ' TRP . 2.8 mp -48.05 -50.59 27.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 12.6 pt-20 -68.97 -52.76 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 5.9 m-20 -42.65 -59.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.464 ' CA ' ' HB2' ' A' ' 59' ' ' LYS . . . -60.09 -67.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.441 ' CZ ' ' NH1' ' A' ' 94' ' ' ARG . 35.3 t80 -37.31 -52.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -66.22 -61.86 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -41.73 -36.45 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.95 -10.16 8.93 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' HB2' ' CA ' ' A' ' 54' ' ' ALA . 9.7 mttm -46.8 148.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -54.91 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -121.35 152.83 38.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -147.21 121.02 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.473 ' HA ' ' HA ' ' A' ' 72' ' ' VAL . 6.5 pt-20 -94.63 135.55 35.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.95 152.68 46.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.23 101.75 11.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' A' ' 68' ' ' GLY . 16.4 mm -87.15 173.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 66' ' ' ILE . . . -39.08 92.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 46.48 49.93 14.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.432 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 1.5 m-85 -159.48 113.33 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 70' ' ' LEU . 4.5 mm? -76.33 115.69 16.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.521 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.0 m-85 -116.35 152.75 33.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.531 HG13 ' CE1' ' A' ' 81' ' ' TYR . 90.9 t -129.78 112.88 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.22 111.43 23.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -99.2 119.41 37.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.582 HD21 ' CH2' ' A' ' 32' ' ' TRP . 50.8 mt -82.93 -30.88 28.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -47.19 42.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 78' ' ' MET . 17.2 m120 -100.84 -9.12 21.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.431 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 65.28 47.07 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.416 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.5 m -150.94 149.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.435 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 2.0 pt20 -117.84 132.81 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.531 ' CE1' HG13 ' A' ' 72' ' ' VAL . 1.7 p90 -130.19 155.71 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -62.48 127.47 31.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.46 ' HG3' ' CG2' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -45.34 -67.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -63.85 -59.81 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -88.29 85.06 6.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -59.44 -24.11 63.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.575 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.61 -62.74 4.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.7 mtp180 -61.24 112.31 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.0 110.313 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' A' ' 81' ' ' TYR . 1.4 ptt-85 -147.71 152.92 38.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.2 mtm-85 -143.12 150.25 39.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.28 154.88 41.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.435 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 4.8 pt -140.63 155.71 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -152.18 159.87 43.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.603 ' HD2' ' CE2' ' A' ' 30' ' ' TYR . 9.4 ttp-105 -119.5 134.01 55.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -148.89 165.22 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.8 mt -106.81 137.28 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.519 ' CG1' ' CB ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -133.19 -155.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.476 ' HA ' ' CG ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -146.71 -46.01 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.3 mt 70.18 138.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 151.82 39.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.08 -19.33 18.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 103' ' ' GLY . 4.9 tptt -68.41 -56.35 8.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 102' ' ' LYS . . . -37.61 -46.84 1.61 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.8 t -152.48 98.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.48 152.32 22.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -148.92 -137.19 2.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 170.22 20.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.5 p -133.6 142.81 48.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 t -114.77 123.41 49.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.35 150.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.032 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 p -176.49 167.57 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.952 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.46 164.55 30.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -158.69 169.34 24.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 0.757 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.89 169.75 4.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.85 -179.58 25.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 56.41 105.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 mt -146.03 157.22 43.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.92 101.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 4.7 mttt -157.6 132.91 5.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 18.4 Cg_endo -75.02 -37.49 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.6 m 65.35 161.58 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.94 127.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 pp -45.48 167.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.41 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -103.27 167.14 10.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.963 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD2' ' HB3' ' A' ' 16' ' ' SER . 18.3 Cg_endo -75.01 -9.0 20.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -88.2 -20.33 25.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.94 -28.67 62.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -45.85 89.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -41.46 63.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.16 -59.42 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.31 -56.33 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -60.64 -58.06 10.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.462 ' CA ' ' HD3' ' A' ' 100' ' ' PRO . 41.8 mtt-85 -38.59 -41.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.451 ' C ' ' N ' ' A' ' 28' ' ' GLY . . . -42.98 -25.08 0.31 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 25' ' ' ARG . 1.1 t30 -45.54 -24.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 0.802 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 26' ' ' GLY . . . -42.67 -80.45 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 97' ' ' ILE . 1.2 mm-40 -134.26 -170.89 2.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 16.8 p90 -122.77 148.68 45.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.49 ' CB ' HG13 ' A' ' 97' ' ' ILE . . . -125.13 141.77 51.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CH2' HD22 ' A' ' 75' ' ' LEU . 65.5 m95 -89.75 149.84 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 20.3 m-85 -135.79 145.96 47.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.503 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 16.1 p90 -138.86 129.54 26.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -44.73 145.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.32 -130.02 2.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.08 -56.54 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -70.69 -59.28 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -156.7 -93.24 0.1 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -121.25 149.08 43.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 7.4 m95 -120.5 144.7 47.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.58 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -98.56 120.29 38.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.452 ' OH ' ' NE2' ' A' ' 80' ' ' GLN . 93.2 m-85 -49.09 179.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 27.1 t0 -83.68 -64.82 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 3.4 tt0 163.54 -27.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 49' ' ' ARG . 2.7 mmt180 -71.05 -43.79 67.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.42 ' C ' HD11 ' A' ' 51' ' ' LEU . 2.3 m -70.19 -63.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.3 OUTLIER -38.56 -44.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.049 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -41.59 -28.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 48' ' ' SER . 5.0 mm-40 -94.87 -36.75 11.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.471 ' N ' HD13 ' A' ' 51' ' ' LEU . 3.8 mp -50.63 -44.22 57.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 1.3 tm-20 -76.57 -51.26 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -48.52 -44.4 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.495 ' CB ' ' HB ' ' A' ' 62' ' ' THR . . . -70.51 -61.83 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 3.2 t80 -37.05 -35.95 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 t -88.66 -54.63 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -40.95 -46.86 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.76 -5.96 16.19 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.125 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 61' ' ' ASN . 17.7 mttt -54.02 -28.16 36.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 0.8 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.503 ' HD2' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER 66.45 -58.26 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 59' ' ' LYS . 1.1 m120 -102.31 113.41 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.495 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 9.1 t -108.08 123.97 49.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.68 124.18 33.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.422 ' HE3' ' NE2' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -120.65 143.96 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.456 ' CD1' HD21 ' A' ' 70' ' ' LEU . 2.5 tp -118.49 110.24 17.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.581 ' CD1' ' CD2' ' A' ' 71' ' ' TYR . 4.3 mt -94.65 -179.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' H ' ' CG2' ' A' ' 66' ' ' ILE . . . -41.33 92.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 48.45 46.65 29.23 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.413 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -145.28 114.65 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 0.723 . . . . 0.0 110.959 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.456 HD21 ' CD1' ' A' ' 65' ' ' LEU . 4.6 mm? -81.26 108.45 14.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.581 ' CD2' ' CD1' ' A' ' 66' ' ' ILE . 15.8 m-85 -119.5 151.87 37.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.8 t -136.19 116.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.413 ' HB1' ' CE ' ' A' ' 64' ' ' MET . . . -95.2 114.14 25.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.441 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 24.1 t0 -98.07 104.07 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.56 HD22 ' CH2' ' A' ' 32' ' ' TRP . 7.6 mt -74.47 -30.55 61.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -50.09 -44.77 52.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -101.35 -8.09 22.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.4 tpt 68.36 36.09 3.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.4 ' O ' ' HB3' ' A' ' 74' ' ' ASP . 1.3 m -142.48 147.32 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.481 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 2.3 pt20 -114.73 133.52 55.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.441 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 4.5 p90 -130.6 156.32 45.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' HG3' ' CB ' ' A' ' 88' ' ' ARG . 39.6 mtt180 -73.02 135.46 44.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.453 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 1.5 ttt180 -55.59 -56.68 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -73.28 -47.15 45.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -93.52 60.25 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -41.61 -30.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.598 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.39 -57.02 20.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.439 ' CB ' ' HG3' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -60.85 117.74 5.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.413 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 21.3 ptt180 -157.2 167.64 29.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.71 158.98 43.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.12 135.13 34.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.481 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 23.1 pt -112.27 160.93 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -154.05 163.64 39.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -118.34 111.36 18.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -105.34 170.53 7.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.523 ' O ' ' CD1' ' A' ' 97' ' ' ILE . 17.5 mt -106.51 127.89 61.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.523 ' CD1' ' O ' ' A' ' 96' ' ' ILE . 1.9 mm -140.83 -164.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.447 ' H ' ' CG2' ' A' ' 97' ' ' ILE . 0.1 OUTLIER 67.47 119.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.489 ' CD1' ' C ' ' A' ' 99' ' ' ILE . 1.4 pp -90.13 158.19 44.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.462 ' HD3' ' CA ' ' A' ' 25' ' ' ARG . 18.3 Cg_endo -75.03 93.54 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.16 -47.95 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -87.41 -54.37 4.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -37.37 -56.75 1.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.1 p -42.53 145.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.34 160.45 2.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.91 -157.65 11.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 139.2 24.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.8 t -108.93 135.73 49.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.1 t -107.65 144.17 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 8.1 p90 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.493 0.187 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.76 155.09 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.648 ' CH2' HD22 ' A' ' 75' ' ' LEU . 38.7 m95 -100.09 144.11 29.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 13.6 m-85 -124.26 127.08 47.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.405 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 28.6 p90 -107.79 136.88 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -48.34 144.1 4.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -143.4 -142.84 4.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -68.43 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -55.41 -50.7 69.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.07 -79.76 0.05 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -129.83 152.45 49.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.405 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 23.4 m95 -130.69 144.92 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 108.001 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.498 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 1.6 tt0 -89.02 135.87 33.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -62.48 -170.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.97 -68.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 178.29 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -80.31 -50.5 10.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 m -44.53 -31.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.354 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.8 p -84.09 -38.58 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -49.54 -22.86 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -86.89 -38.7 16.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.21 -30.93 71.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.563 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -84.36 -49.79 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.26 -48.79 67.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.39 -59.73 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.788 ' HB2' HD13 ' A' ' 75' ' ' LEU . 9.8 t80 -48.44 -51.19 28.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -62.42 -60.83 2.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -41.2 -39.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.9 -8.48 6.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -57.51 140.16 51.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 0.0 109.256 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.415 ' HB3' ' CG ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -95.76 -47.25 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.23 123.62 41.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -117.43 132.07 56.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -96.32 130.82 43.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.635 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 6.9 ptp -123.44 146.62 47.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.592 HD13 HD22 ' A' ' 70' ' ' LEU . 1.5 tp -117.4 106.43 13.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.7 HG22 ' H ' ' A' ' 67' ' ' ALA . 3.8 mt -87.77 177.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.7 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -42.54 92.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 51.59 46.91 53.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.665 ' CD1' ' CE2' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -149.33 106.93 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 111.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.592 HD22 HD13 ' A' ' 65' ' ' LEU . 4.6 mm? -76.2 107.95 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.665 ' CE2' ' CD1' ' A' ' 69' ' ' PHE . 15.6 m-85 -118.86 153.28 34.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.538 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 21.4 t -132.04 119.34 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.635 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -102.8 126.34 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.78 117.02 32.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.788 HD13 ' HB2' ' A' ' 55' ' ' PHE . 18.3 mt -79.51 -25.17 41.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.415 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 1.8 mm-40 -51.91 -49.27 63.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -101.46 -4.93 25.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.69 48.44 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.06 -174.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 7.3 pt20 -153.08 126.81 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.538 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 3.5 p90 -123.73 155.81 37.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.554 ' NH1' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -67.93 131.4 45.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.493 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -44.34 -59.04 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -81.58 -49.22 10.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -85.21 78.72 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -57.48 -33.32 67.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.83 -56.87 21.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -64.51 112.5 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.434 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 10.3 ptt180 -159.27 158.27 32.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -140.66 168.2 20.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -88.87 157.68 18.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 18.9 pt -135.42 147.07 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -145.65 134.35 22.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -85.69 118.19 25.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -118.78 161.61 19.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.3 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.465 ' CD2' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.48 0.181 . . . . 0.0 111.042 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.55 119.64 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.837 ' CH2' HD22 ' A' ' 75' ' ' LEU . 27.6 m95 -88.95 127.33 35.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.013 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -112.23 160.44 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 21.6 p90 -143.53 147.79 35.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -42.29 120.55 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.416 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -115.06 -160.33 12.73 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.575 1.172 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.74 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -66.52 -44.48 82.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -159.44 -106.36 0.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -113.34 129.67 56.47 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.555 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 10.4 m95 -101.82 150.88 22.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.056 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.37 164.03 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -90.31 178.34 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.73 -65.86 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 176.95 -51.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' THR . 18.5 mtm180 -67.91 -53.2 28.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ARG . 3.3 m -38.43 -45.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' LEU . 70.6 p -70.54 -48.26 56.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -46.61 -25.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -89.02 -34.76 16.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.513 HD23 HG21 ' A' ' 62' ' ' THR . 89.2 mt -62.16 -47.4 84.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HG3' ' CD2' ' A' ' 30' ' ' TYR . 7.6 tm-20 -64.2 -58.22 7.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.45 -52.47 13.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.92 -70.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.658 ' HB2' HD13 ' A' ' 75' ' ' LEU . 11.0 t80 -38.34 -49.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.7 t -65.2 -60.57 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -45.03 -44.31 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.14 -17.82 4.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -49.91 100.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -60.3 -42.61 95.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -123.68 119.67 30.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.513 HG21 HD23 ' A' ' 51' ' ' LEU . 9.9 t -108.79 121.78 45.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.48 128.7 35.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.64 ' SD ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -126.46 130.05 49.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.608 HD13 HD22 ' A' ' 70' ' ' LEU . 2.3 tp -98.1 103.76 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.568 HG22 ' N ' ' A' ' 67' ' ' ALA . 14.5 mm -80.57 169.71 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.568 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -45.84 91.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 58.67 44.76 95.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.511 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 6.1 m-85 -155.78 100.97 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.608 HD22 HD13 ' A' ' 65' ' ' LEU . 4.6 mm? -68.11 111.08 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.553 ' CD2' HG13 ' A' ' 66' ' ' ILE . 10.6 m-85 -118.07 152.96 34.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.555 ' CG1' ' CE1' ' A' ' 81' ' ' TYR . 66.9 t -134.47 115.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.64 ' HB2' ' SD ' ' A' ' 64' ' ' MET . . . -94.65 111.23 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.442 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.7 t0 -96.85 110.97 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.837 HD22 ' CH2' ' A' ' 32' ' ' TRP . 43.6 mt -77.44 -32.77 54.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -47.19 -46.62 23.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.56 ' HB2' HG22 ' A' ' 79' ' ' VAL . 60.5 m-80 -102.42 -4.87 24.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.419 ' CE ' ' HA ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER 63.61 36.19 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.581 HG12 ' HG2' ' A' ' 91' ' ' LYS . 17.2 m -138.54 146.83 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 3.3 pt20 -113.47 126.09 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.555 ' CE1' ' CG1' ' A' ' 72' ' ' VAL . 5.2 p90 -123.69 153.77 40.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.28 131.8 46.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.48 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -45.13 -63.46 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -68.53 -57.73 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -86.65 82.83 7.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -59.57 -33.47 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.586 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.83 -54.91 26.04 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -65.21 111.07 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -151.49 163.13 39.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 mmt-85 -142.77 152.48 42.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.581 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -70.54 150.78 45.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.486 HD12 ' HZ3' ' A' ' 32' ' ' TRP . 6.1 pt -138.51 152.19 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.7 OUTLIER -151.06 162.39 40.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.577 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 3.1 ttp-105 -110.97 114.85 28.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -122.2 178.96 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 pt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.266 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 4.5 p90 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.491 0.186 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB1' ' NE2' ' A' ' 42' ' ' GLN . . . -139.09 147.24 41.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.671 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 52.1 m95 -101.18 153.73 19.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 19.2 m-85 -143.87 129.77 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 23.9 p90 -105.35 142.77 34.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.48 112.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.7 176.04 16.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.127 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -61.33 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.798 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -56.87 -25.48 56.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.53 -65.04 0.38 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -139.79 136.96 34.62 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.423 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 14.4 m95 -125.21 147.67 48.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.8 tt0 -90.88 161.68 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -90.77 -174.21 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.17 -77.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -178.8 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' ARG . 15.2 mmt180 -77.88 -54.85 5.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 m -40.94 -31.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.7 p -85.34 -43.15 13.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' ARG . 3.9 mtt-85 -49.89 -27.82 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -80.44 -31.32 37.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.454 HD11 ' NE2' ' A' ' 80' ' ' GLN . 42.8 mt -60.22 -40.42 90.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 3.3 tp10 -69.89 -58.96 3.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.335 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -42.62 -46.78 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 59' ' ' LYS . . . -69.46 -53.8 17.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.432 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 22.9 t80 -49.59 -44.25 46.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.9 t -72.43 -62.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -40.43 -35.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.66 -9.82 7.64 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.69 ' O ' HD23 ' A' ' 75' ' ' LEU . 27.1 mttm -53.86 97.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.415 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 1.8 mptt -50.09 -23.19 1.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.777 ' HA ' HD22 ' A' ' 75' ' ' LEU . 19.3 p30 -166.15 154.53 10.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -131.09 150.5 52.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -98.95 127.26 44.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.405 ' SD ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -122.02 152.73 39.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.746 ' CD1' HD22 ' A' ' 70' ' ' LEU . 2.0 tp -116.78 105.17 12.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.642 HG22 ' H ' ' A' ' 67' ' ' ALA . 6.6 mm -86.81 174.38 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.642 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -40.42 92.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 48.71 49.23 28.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.496 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.0 m-85 -155.36 111.21 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.746 HD22 ' CD1' ' A' ' 65' ' ' LEU . 4.6 mm? -73.0 113.22 9.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.593 ' CE1' ' HG2' ' A' ' 82' ' ' ARG . 11.6 m-85 -121.6 156.95 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.57 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 74.9 t -136.11 123.9 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.516 ' CB ' ' CG ' ' A' ' 80' ' ' GLN . . . -101.62 131.68 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.476 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 31.5 t0 -115.17 124.2 50.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.777 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -91.35 -35.72 14.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.3 mt-10 -49.16 -45.51 43.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.402 ' O ' HG13 ' A' ' 79' ' ' VAL . 85.1 m-20 -102.65 -10.48 19.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.407 ' HB3' ' O ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER 62.73 53.63 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.46 ' CA ' HG12 ' A' ' 92' ' ' ILE . 3.1 m -149.64 143.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.516 ' CG ' ' CB ' ' A' ' 73' ' ' ALA . 2.8 mt-30 -109.53 121.38 45.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 6.1 p90 -126.53 148.44 49.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.593 ' HG2' ' CE1' ' A' ' 71' ' ' TYR . 1.3 mmt85 -59.44 140.36 56.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.503 ' HD3' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -49.85 -47.82 51.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -97.18 -55.21 2.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 4.9 mm-40 -69.56 57.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -44.56 -31.36 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.649 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.44 -44.9 97.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.29 110.72 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.481 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 26.7 ptt85 -158.84 165.03 35.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 89' ' ' ARG . 3.2 mmt-85 -142.55 163.06 33.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.43 ' HG2' HG12 ' A' ' 79' ' ' VAL . 10.5 mttt -81.76 131.61 35.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.46 HG12 ' CA ' ' A' ' 79' ' ' VAL . 30.7 pt -117.68 144.1 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -137.62 165.72 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -123.28 122.77 39.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -128.55 169.04 14.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.1 mm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.604 ' CE2' ' OE1' ' A' ' 52' ' ' GLU . 18.6 p90 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.54 0.21 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.86 144.96 8.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.51 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 51.3 m95 -89.71 153.5 20.66 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -139.87 139.25 36.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -117.76 150.24 39.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.57 113.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -113.21 -173.77 18.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -63.38 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.58 -56.55 20.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.01 -70.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -134.41 135.13 42.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -126.65 160.31 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.01 154.72 17.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.644 ' CE2' ' CD2' ' A' ' 51' ' ' LEU . 64.8 m-85 -74.69 -83.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 21.0 t0 -173.4 -65.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 6.1 tt0 161.98 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -73.9 -44.86 53.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.42 ' C ' HD13 ' A' ' 51' ' ' LEU . 1.2 m -71.35 -64.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -37.81 -44.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.65 -29.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 48' ' ' SER . 8.9 mm-40 -94.45 -38.75 10.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.644 ' CD2' ' CE2' ' A' ' 43' ' ' TYR . 4.2 mp -48.5 -48.77 37.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.604 ' OE1' ' CE2' ' A' ' 30' ' ' TYR . 11.9 tp10 -73.54 -57.42 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -40.03 -51.55 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.609 ' HB1' ' CB ' ' A' ' 59' ' ' LYS . . . -68.38 -62.84 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -41.09 -38.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 58' ' ' GLY . 26.8 t -79.56 -61.07 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -43.26 -27.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 117.04 -8.04 16.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.609 ' CB ' ' HB1' ' A' ' 54' ' ' ALA . 1.8 mttm -51.43 122.82 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' CD ' ' HG3' ' A' ' 76' ' ' GLU . 12.2 mmtt -66.45 -28.68 68.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.836 ' HA ' HD22 ' A' ' 75' ' ' LEU . 8.1 p30 -158.81 142.27 14.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.441 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 6.3 t -113.23 135.62 53.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -89.99 123.08 33.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.672 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -118.45 150.42 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.55 HD13 HD22 ' A' ' 70' ' ' LEU . 1.1 tp -113.63 104.69 12.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.567 HG22 ' N ' ' A' ' 67' ' ' ALA . 20.6 mm -87.68 172.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.567 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -40.79 92.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 49.29 49.13 32.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.494 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 2.5 m-85 -156.57 111.2 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 65' ' ' LEU . 4.5 mm? -73.45 113.21 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 69' ' ' PHE . 11.8 m-85 -119.85 156.7 30.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.526 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 44.9 t -135.78 116.51 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.672 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -95.64 109.71 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.573 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 2.9 t0 -91.93 126.41 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.836 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -94.11 -32.86 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.462 ' HG3' ' CD ' ' A' ' 60' ' ' LYS . 1.7 mt-10 -50.77 -44.13 58.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -101.43 -10.31 20.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.41 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 66.5 46.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.3 m -151.07 147.25 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 4.4 pt20 -112.48 131.68 55.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 2.8 p90 -129.94 156.94 43.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -67.91 160.51 28.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.46 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -75.22 -74.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -61.79 -41.11 97.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.86 68.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -27.35 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.626 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.39 -56.67 14.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 1.7 mmp_? -61.11 111.66 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.77 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 3.6 ptm180 -148.1 154.4 40.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -142.89 150.5 39.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.92 142.93 41.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.414 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 20.4 pt -128.72 162.9 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -152.63 164.98 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.432 ' NH1' ' OE2' ' A' ' 52' ' ' GLU . 4.8 ttp180 -111.53 111.43 22.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -105.43 166.3 10.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.9 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 24.6 p90 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.492 0.187 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.447 ' HB1' ' NE2' ' A' ' 42' ' ' GLN . . . -103.12 157.18 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.456 ' CH2' HD22 ' A' ' 75' ' ' LEU . 46.4 m95 -99.89 154.77 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.028 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 43.2 m-85 -143.1 146.37 33.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 17.8 p90 -124.03 148.51 46.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' TYR . 36.1 tt0 -37.65 114.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.438 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -115.68 158.87 14.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.2 -50.93 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.76 -39.75 80.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.89 -64.16 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.501 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 91.9 m95 -134.38 129.17 34.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.449 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 6.5 m95 -115.84 144.88 43.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 108.015 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 4.6 tt0 -91.63 143.53 26.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CD1' HG21 ' A' ' 47' ' ' THR . 57.6 m-85 -68.08 169.17 10.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -56.64 -68.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 179.37 -41.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' THR . 1.3 ttt180 -71.9 -57.14 4.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.555 HG21 ' CD1' ' A' ' 43' ' ' TYR . 4.0 m -37.44 -50.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.371 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 49.4 m -63.89 -51.31 65.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -43.71 -27.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' SER . 8.5 mm-40 -91.67 -35.21 14.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.972 HD23 HG21 ' A' ' 62' ' ' THR . 69.2 mt -64.59 -52.21 58.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -40.3 72.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.59 -59.49 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.85 -64.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -44.66 -52.14 8.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LYS . 5.8 t -61.1 -66.34 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' SER . 38.5 mtmt -39.92 -43.41 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.99 -7.91 6.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -52.35 140.04 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.34 -51.98 5.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -118.22 122.4 42.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.972 HG21 HD23 ' A' ' 51' ' ' LEU . 4.2 t -105.64 128.78 53.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.71 120.9 29.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.411 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -120.6 159.18 25.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.435 ' C ' HD23 ' A' ' 65' ' ' LEU . 7.8 tt -125.69 104.33 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.571 HG22 ' N ' ' A' ' 67' ' ' ALA . 13.7 mm -83.4 170.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.571 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -44.24 90.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 57.67 46.66 91.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.49 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 17.6 m-85 -159.42 97.46 1.35 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 0.754 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HG ' ' CD ' ' A' ' 83' ' ' ARG . 0.2 OUTLIER -66.72 110.46 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 82' ' ' ARG . 11.4 m-85 -114.22 163.24 15.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.415 ' CG2' ' HG3' ' A' ' 83' ' ' ARG . 47.3 t -139.26 117.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.547 ' HB3' ' CG2' ' A' ' 62' ' ' THR . . . -91.46 118.72 30.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.573 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 9.7 t0 -102.05 103.38 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.456 HD22 ' CH2' ' A' ' 32' ' ' TRP . 14.4 mt -71.68 -38.02 70.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -44.59 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -102.65 -12.06 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.3 tpt 71.59 32.44 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.665 HG12 ' HG2' ' A' ' 91' ' ' LYS . 6.9 m -139.13 143.02 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.452 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 1.1 pt20 -111.61 133.93 53.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 3.2 p90 -130.48 154.44 47.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 2.6 ttm180 -70.04 140.25 52.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -53.88 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.61 -56.64 16.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.51 79.66 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -55.35 -32.41 62.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.627 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.95 -62.89 5.65 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.6 mmt-85 -53.61 112.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.437 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -154.59 167.47 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.62 158.74 41.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.665 ' HG2' HG12 ' A' ' 79' ' ' VAL . 4.8 mttm -78.94 146.95 33.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.452 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 13.0 pt -123.24 152.57 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.501 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -149.01 165.32 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.456 ' HD2' ' CD1' ' A' ' 30' ' ' TYR . 12.0 ttp180 -118.19 116.22 26.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -111.37 125.7 54.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.516 HD13 ' HB3' ' A' ' 30' ' ' TYR . 24.2 mm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 44.8 p90 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.544 0.211 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.74 148.01 32.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.683 ' CH2' HD22 ' A' ' 75' ' ' LEU . 77.7 m95 -99.61 130.05 45.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 107.995 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 20.6 m-85 -122.83 141.46 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 41' ' ' TRP . 21.8 p90 -112.78 135.26 53.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' CD ' ' A' ' 90' ' ' ARG . 0.2 OUTLIER -49.73 132.53 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.78 -170.38 12.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -60.01 4.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.62 -46.59 83.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . 170.28 -68.41 0.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -136.92 138.85 41.1 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 19.4 m95 -124.49 156.97 36.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 107.995 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -92.95 158.83 15.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 33.3 m-85 -90.37 -170.47 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.67 -72.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 178.45 -45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -68.07 -61.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 46' ' ' ARG . 2.5 m -36.76 -44.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.42 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 64.4 m -65.56 -49.95 66.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' ARG . 39.0 mtt180 -44.93 -26.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -87.95 -35.84 17.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' SER . 96.0 mt -59.45 -53.23 60.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.559 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 7.5 tm-20 -62.51 -59.29 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.33 -45.48 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.74 -65.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.527 ' HA ' HD13 ' A' ' 75' ' ' LEU . 23.4 t80 -42.46 -44.02 3.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -59.36 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -48.7 -41.89 33.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.12 -7.83 8.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -52.11 129.44 27.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.57 -54.29 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -114.05 145.28 41.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.998 HG22 ' HB3' ' A' ' 73' ' ' ALA . 6.4 t -126.05 159.56 32.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' OE1' ' NH1' ' A' ' 83' ' ' ARG . 2.3 tt0 -106.69 145.33 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.91 127.84 11.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.474 HD13 HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -91.56 106.0 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.682 HG22 ' H ' ' A' ' 67' ' ' ALA . 4.5 mm -94.8 175.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.682 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -36.17 92.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 41.48 51.68 4.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD2' ' O ' ' A' ' 67' ' ' ALA . 12.4 m-85 -160.65 120.66 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 0.745 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.474 HD22 HD13 ' A' ' 65' ' ' LEU . 3.4 mm? -75.17 122.5 23.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.607 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.6 m-85 -127.04 163.44 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.764 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.3 m -140.37 144.49 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.998 ' HB3' HG22 ' A' ' 62' ' ' THR . . . -113.85 115.43 27.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.556 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 24.2 t70 -97.59 102.8 14.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.683 HD22 ' CH2' ' A' ' 32' ' ' TRP . 10.3 mt -71.6 -29.2 64.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.91 -50.86 25.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 78' ' ' MET . 13.7 m-80 -101.83 -3.08 28.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.234 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 65.24 37.57 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.514 HG11 ' NH1' ' A' ' 89' ' ' ARG . 6.2 m -141.84 145.45 24.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 0.3 OUTLIER -114.39 147.79 38.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.09 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.764 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 1.6 p90 -145.05 157.95 43.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.463 ' CG ' ' CE1' ' A' ' 71' ' ' TYR . 1.2 mtm180 -63.83 136.13 57.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.425 ' NH1' ' OE1' ' A' ' 63' ' ' GLU . 2.7 ttt180 -50.16 -51.75 41.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -91.04 -54.15 4.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -73.61 57.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -41.96 -28.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.583 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 85' ' ' GLU . . . -57.81 -49.21 76.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -69.48 111.52 5.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.514 ' NH1' HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -146.49 163.92 34.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.433 ' CD ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -157.47 154.85 29.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.365 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HA ' HG12 ' A' ' 79' ' ' VAL . 18.8 mttt -79.37 151.97 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 12.6 pt -134.76 148.27 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -142.54 165.39 27.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -119.39 109.34 15.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -101.3 175.06 5.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.0 mm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 8.3 p90 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.502 0.191 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.472 ' HB1' ' CD ' ' A' ' 42' ' ' GLN . . . -149.05 151.48 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.447 ' CB ' HD12 ' A' ' 51' ' ' LEU . 36.6 m95 -90.72 140.89 29.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 10.5 m-85 -125.57 153.2 44.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CD2' ' O ' ' A' ' 35' ' ' GLU . 9.6 p90 -135.05 150.46 50.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.563 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 30.6 tt0 -55.37 142.56 31.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -144.69 -143.53 4.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -78.54 -67.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.27 -52.75 64.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.05 -79.2 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -126.76 147.26 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -138.97 152.88 48.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.049 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.583 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -91.95 147.31 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -68.18 -66.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -176.65 -68.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 177.9 -44.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -76.55 -56.57 4.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 m -42.81 -40.36 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' LEU . 36.1 p -75.96 -44.75 38.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -45.15 -26.16 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -85.82 -39.59 16.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.497 HD23 ' CG2' ' A' ' 62' ' ' THR . 81.7 mt -53.12 -51.14 62.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -60.95 -58.77 7.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.78 -52.18 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.451 ' CA ' ' HB2' ' A' ' 59' ' ' LYS . . . -65.32 -59.2 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -44.78 -50.1 10.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.419 ' C ' ' N ' ' A' ' 58' ' ' GLY . 28.0 t -67.75 -62.03 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -41.02 -29.64 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 117.09 -10.74 15.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.746 ' O ' HD23 ' A' ' 75' ' ' LEU . 11.3 mttm -50.35 100.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.483 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -46.88 -30.65 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.816 ' HA ' HD22 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -147.73 168.82 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.497 ' CG2' HD23 ' A' ' 51' ' ' LEU . 10.4 t -150.13 128.49 12.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -81.58 158.46 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.537 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -156.84 157.63 35.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.6 tp -115.76 113.62 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 1.031 HD12 ' CD2' ' A' ' 71' ' ' TYR . 3.8 mt -104.26 -179.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.753 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -37.82 93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 40.8 47.58 4.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.406 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 11.5 m-85 -158.05 111.44 2.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.544 HD13 ' HD2' ' A' ' 83' ' ' ARG . 4.3 mt -75.87 121.96 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 1.031 ' CD2' HD12 ' A' ' 66' ' ' ILE . 18.2 m-85 -120.91 161.4 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.511 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 59.8 t -131.64 112.28 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -92.33 107.59 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.449 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 53.8 t0 -92.23 123.93 35.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.816 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -89.55 -32.64 17.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HG3' ' CG ' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -45.27 -48.41 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.334 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -103.79 -7.22 20.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.9 tpt 66.46 41.75 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.476 HG12 ' CG ' ' A' ' 91' ' ' LYS . 5.2 m -139.58 144.74 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 2.0 pt20 -112.45 126.9 55.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.511 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 5.4 p90 -127.34 145.24 50.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -56.7 137.35 54.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.544 ' HD2' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -51.62 -68.23 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -68.72 -50.46 50.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -91.7 80.86 5.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -26.27 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.55 -56.28 22.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -68.39 112.41 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -153.22 164.53 37.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.22 144.52 23.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.24 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.476 ' CG ' HG12 ' A' ' 79' ' ' VAL . 2.2 ttmt -68.51 151.43 46.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 25.9 pt -128.29 154.39 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -145.8 144.17 30.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -87.45 112.91 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.492 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . 30.5 t0 -105.26 168.91 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.9 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.572 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 9.1 p90 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.5 0.19 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.12 164.5 25.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.652 ' CH2' HD22 ' A' ' 75' ' ' LEU . 40.0 m95 -106.21 141.51 37.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 42' ' ' GLN . 7.6 m-85 -124.28 149.33 46.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.598 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 7.8 p90 -136.38 133.67 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.5 tp10 -32.79 116.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.77 -161.85 26.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.38 -35.77 34.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -88.14 -48.46 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.09 -84.48 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -119.4 121.04 38.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.598 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -95.33 127.66 41.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.581 ' HB2' ' CE2' ' A' ' 33' ' ' TYR . 4.3 tt0 -90.91 128.96 36.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -60.75 -178.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -74.9 -69.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 178.61 -39.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -75.66 -65.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' ARG . 18.8 m -37.13 -42.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.436 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' LEU . 87.0 p -70.96 -48.35 53.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . 2.0 mmm180 -48.55 -23.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -85.94 -33.99 21.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.548 HD12 ' CB ' ' A' ' 32' ' ' TRP . 17.9 mt -55.56 -48.79 74.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 2.3 tm-20 -71.23 -47.38 57.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -42.5 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 59' ' ' LYS . . . -76.27 -56.31 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.513 ' HB2' HD13 ' A' ' 75' ' ' LEU . 7.1 t80 -48.55 -46.4 38.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.9 t -65.1 -63.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -40.11 -34.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.17 -10.26 6.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 24.8 mttp -59.61 119.77 8.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.42 ' HB2' ' CG ' ' A' ' 76' ' ' GLU . 7.5 pttt -85.7 -39.28 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 2.0 p-10 -113.81 110.03 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 73' ' ' ALA . 8.8 t -111.04 118.18 35.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.48 146.65 30.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.731 ' O ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -138.67 160.23 40.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 tp -116.29 103.98 11.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.581 HG22 ' N ' ' A' ' 67' ' ' ALA . 22.5 mm -87.37 171.61 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.581 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -43.74 92.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 52.97 45.35 61.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.429 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 21.6 m-85 -163.03 100.19 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 64' ' ' MET . 23.9 tp -72.16 116.22 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.522 ' CE1' ' HG3' ' A' ' 82' ' ' ARG . 18.3 m-85 -112.81 170.37 8.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.53 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 90.1 t -131.37 112.4 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.622 ' HB2' ' SD ' ' A' ' 64' ' ' MET . . . -88.54 114.08 24.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -99.34 102.04 13.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.652 HD22 ' CH2' ' A' ' 32' ' ' TRP . 3.6 mt -71.52 -27.02 62.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -49.69 -52.41 31.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 78' ' ' MET . 35.5 m-80 -102.34 -4.26 25.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 65.69 46.44 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.54 137.74 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.461 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -108.11 128.07 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.53 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 8.7 p90 -127.09 143.39 51.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.522 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -47.42 152.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.573 ' HG3' HD23 ' A' ' 70' ' ' LEU . 3.0 mmm180 -46.04 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' HIS . 79.6 m-20 -84.49 -49.25 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.72 71.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' ASN . 37.0 t-80 -55.31 -41.01 71.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.558 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.62 -54.49 6.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.06 112.43 5.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -159.08 165.62 33.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -149.53 154.33 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -73.92 145.95 44.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.461 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 7.7 pt -122.84 141.96 41.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.63 165.94 25.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -107.92 114.52 28.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.56 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . 18.2 t70 -110.7 175.53 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 30.6 mm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 96' ' ' ILE . 26.9 p90 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.514 0.197 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.63 133.83 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.534 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 49.9 m95 -90.54 139.68 30.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -127.22 150.91 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 9.9 p90 -134.28 150.73 51.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -50.14 109.67 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.89 -164.69 20.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -63.52 -44.05 95.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.6 -66.87 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.4 ' HA ' ' O ' ' A' ' 34' ' ' TYR . 40.1 m95 -137.56 138.54 39.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -129.89 167.97 17.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.39 154.8 19.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.417 ' OH ' HG21 ' A' ' 92' ' ' ILE . 88.1 m-85 -77.12 -65.35 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -177.97 -81.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -172.73 -39.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -78.56 -57.89 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.8 m -42.95 -35.76 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' LEU . 75.3 p -78.6 -42.87 27.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -26.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -85.25 -40.8 16.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.546 HD23 ' CG2' ' A' ' 62' ' ' THR . 49.5 mt -55.33 -58.14 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.58 -44.38 69.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -45.49 93.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.441 ' CB ' ' HB ' ' A' ' 62' ' ' THR . . . -67.75 -61.92 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -43.06 -45.33 5.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.455 ' C ' ' N ' ' A' ' 58' ' ' GLY . 1.5 t -69.56 -63.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -40.15 -29.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 116.36 -8.11 18.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.558 ' O ' HD23 ' A' ' 75' ' ' LEU . 30.3 mttm -54.09 104.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -51.22 -27.13 8.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.857 ' HA ' HD22 ' A' ' 75' ' ' LEU . 4.9 p30 -157.3 149.76 23.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.546 ' CG2' HD23 ' A' ' 51' ' ' LEU . 5.8 t -122.35 142.59 50.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.25 123.29 39.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.635 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -117.86 157.02 27.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.579 HD13 HD22 ' A' ' 70' ' ' LEU . 2.9 tp -121.8 105.84 10.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.561 HG13 ' CD2' ' A' ' 71' ' ' TYR . 12.0 mm -87.52 172.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.552 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -41.21 92.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 50.77 49.06 42.51 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.438 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 7.2 m-85 -157.55 107.07 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 111.038 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.579 HD22 HD13 ' A' ' 65' ' ' LEU . 4.6 mm? -70.07 115.01 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 82' ' ' ARG . 9.7 m-85 -121.1 158.7 27.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.543 ' CG1' ' CE1' ' A' ' 81' ' ' TYR . 63.0 t -136.94 120.38 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.635 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -102.08 109.11 20.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.478 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 9.8 t0 -92.45 127.42 37.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.857 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -93.99 -38.35 11.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.43 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 0.9 OUTLIER -48.31 -41.08 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -102.06 -14.19 17.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.452 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 2.1 tpt 67.36 47.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.452 ' CG1' ' C ' ' A' ' 78' ' ' MET . 1.2 m -152.54 147.34 14.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 6.2 pt20 -114.79 133.95 55.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.543 ' CE1' ' CG1' ' A' ' 72' ' ' VAL . 2.9 p90 -130.48 158.84 38.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -77.36 138.58 39.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.48 ' CG ' HG23 ' A' ' 72' ' ' VAL . 3.6 mtp180 -56.2 -73.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.27 -49.61 69.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -97.12 75.58 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -55.68 -18.91 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.615 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.89 -54.99 21.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -60.33 111.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 110.357 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -148.17 157.29 43.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -147.19 149.02 32.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -74.48 144.51 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.417 HG21 ' OH ' ' A' ' 43' ' ' TYR . 36.8 pt -129.56 161.11 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.01 135.32 13.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.448 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 8.8 ttp180 -94.72 111.83 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -109.05 -177.18 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.447 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 8.8 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.474 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 23.2 p90 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.483 0.182 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.93 -179.98 3.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.793 ' CH2' HD22 ' A' ' 75' ' ' LEU . 59.3 m95 -124.19 150.69 44.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' ' 95' ' ' ASP . 20.5 m-85 -143.46 157.4 44.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.579 ' CD2' ' O ' ' A' ' 35' ' ' GLU . 9.2 p90 -127.39 153.9 45.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.579 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 42.4 tt0 -56.63 137.9 53.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.72 -147.33 5.22 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.06 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -58.04 -51.76 68.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.87 -94.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.458 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 66.7 m95 -119.62 128.95 54.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -112.54 155.08 24.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.033 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.541 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.6 tt0 -90.25 145.83 24.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.448 ' CE1' ' HB3' ' A' ' 34' ' ' TYR . 65.3 m-85 -66.79 -70.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.9 -71.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 177.3 -40.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.9 mmt-85 -75.8 -52.31 10.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 m -45.11 -43.58 9.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' LEU . 26.3 p -71.79 -47.73 51.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HA ' ' CG ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -43.36 -28.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -90.12 -35.94 15.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.744 HD23 ' CG2' ' A' ' 62' ' ' THR . 56.4 mt -70.95 -37.87 72.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.416 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -68.71 -38.38 80.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.05 -52.07 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' PHE . . . -53.04 -69.1 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ALA . 28.5 t80 -37.35 -49.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -65.83 -64.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' SER . 6.7 mtmt -39.9 -38.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.75 -16.77 5.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -54.7 138.01 42.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -85.23 -56.25 3.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -109.68 164.49 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.744 ' CG2' HD23 ' A' ' 51' ' ' LEU . 9.0 t -155.15 122.33 5.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.78 128.3 34.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.623 ' HE1' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -127.12 117.61 22.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 tp -87.8 100.96 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.968 HD12 ' CD2' ' A' ' 71' ' ' TYR . 9.5 mt -82.38 177.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.721 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -45.52 91.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 54.39 40.61 69.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.25 94.96 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.035 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -69.96 117.25 11.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.968 ' CD2' HD12 ' A' ' 66' ' ' ILE . 12.4 m-85 -119.11 160.83 21.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.579 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 49.9 t -136.97 130.11 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.674 ' HB3' HG22 ' A' ' 62' ' ' THR . . . -105.74 141.0 37.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -130.64 103.51 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.793 HD22 ' CH2' ' A' ' 32' ' ' TRP . 11.6 mt -73.5 -38.58 65.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.08 -46.32 4.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -102.05 -13.39 17.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.405 ' C ' HG12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER 69.6 41.11 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.517 HG12 ' HG2' ' A' ' 91' ' ' LYS . 5.8 m -136.4 156.96 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 4.0 mt-30 -124.6 126.15 45.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.579 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 19.7 p90 -131.24 150.89 51.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 1.0 OUTLIER -59.8 149.18 31.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.451 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -59.73 -70.1 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -64.61 -56.93 10.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 3.0 mt-10 -87.76 100.97 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -75.7 -30.98 59.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.554 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.98 -47.59 39.97 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.98 109.6 7.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.723 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -157.33 170.78 21.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -159.32 147.2 17.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.517 ' HG2' HG12 ' A' ' 79' ' ' VAL . 12.0 mttt -68.43 144.28 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.405 HG12 ' C ' ' A' ' 78' ' ' MET . 12.3 pt -118.08 164.63 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.458 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 6.2 pttt -151.48 165.46 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -108.5 121.98 46.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.571 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . 5.8 t70 -103.64 -179.96 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.0 mm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 33.7 p90 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.515 0.198 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.99 137.46 7.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.73 ' CH2' HD22 ' A' ' 75' ' ' LEU . 33.8 m95 -94.32 163.2 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.015 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.452 ' HB2' ' CG ' ' A' ' 93' ' ' LYS . 41.1 m-85 -144.32 161.89 37.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 41' ' ' TRP . 17.4 p90 -137.44 146.67 44.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.06 108.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.67 -179.7 18.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.16 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.42 -39.97 64.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.3 -69.04 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -136.2 111.73 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 14.0 m95 -97.08 147.2 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.007 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.7 tt0 -88.38 163.03 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CE2' HD11 ' A' ' 51' ' ' LEU . 42.8 m-85 -87.43 -171.37 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -78.23 -65.85 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 177.33 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -67.0 -50.09 63.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.491 HG21 ' CD1' ' A' ' 43' ' ' TYR . 1.9 m -43.34 -54.53 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' LEU . 60.9 p -61.16 -48.5 81.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.57 -26.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -91.22 -35.36 14.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.609 HD23 HG21 ' A' ' 62' ' ' THR . 95.9 mt -59.41 -50.6 73.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.543 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 15.1 tt0 -58.47 -60.19 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.82 -54.3 3.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.33 -64.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.412 ' HA ' HD13 ' A' ' 75' ' ' LEU . 62.4 t80 -42.58 -44.03 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.91 -66.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -40.66 -38.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.45 -9.16 13.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -50.95 134.84 25.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -77.44 -53.22 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -113.25 145.3 41.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 1.004 HG22 ' HB3' ' A' ' 73' ' ' ALA . 12.2 t -127.87 163.72 23.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -110.4 149.15 30.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . 1.066 ' HE1' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -155.16 121.63 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.62 HD13 HD22 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -85.49 102.45 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.695 HG22 ' H ' ' A' ' 67' ' ' ALA . 4.4 mm -90.16 176.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.695 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -37.43 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 43.51 50.99 6.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.482 ' CE1' ' NH2' ' A' ' 82' ' ' ARG . 13.6 m-85 -161.44 115.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.871 HD12 ' HG3' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -74.28 115.63 14.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.613 ' CD2' HG13 ' A' ' 66' ' ' ILE . 14.7 m-85 -119.35 166.18 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.5 m -139.06 141.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 1.066 ' HB2' ' HE1' ' A' ' 64' ' ' MET . . . -109.4 114.08 27.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.513 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.6 t0 -96.15 102.54 14.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.73 HD22 ' CH2' ' A' ' 32' ' ' TRP . 4.3 mt -73.84 -19.97 60.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -53.99 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -100.85 -3.96 28.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 tpt 68.74 44.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 m -149.33 144.97 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.442 ' CB ' ' HA ' ' A' ' 73' ' ' ALA . 10.5 pt20 -113.75 145.07 41.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 4.2 p90 -144.3 160.65 40.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.482 ' NH2' ' CE1' ' A' ' 69' ' ' PHE . 9.6 mtt180 -61.19 147.69 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.871 ' HG3' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -48.66 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' HIS . 11.3 t30 -74.29 -52.67 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -63.25 74.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 84' ' ' ASN . 72.0 m-70 -56.95 -17.37 9.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.64 -65.17 2.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 4.4 mtt85 -52.6 109.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.493 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -151.58 158.66 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -156.73 153.19 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.246 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -71.93 152.26 42.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.494 HG22 ' OH ' ' A' ' 43' ' ' TYR . 3.4 pt -132.56 155.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 8.5 pttt -147.06 162.08 39.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.42 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 12.1 ttp180 -116.01 115.0 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -117.79 159.89 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.3 mm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.525 ' CE2' ' OE2' ' A' ' 52' ' ' GLU . 50.8 p90 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.478 0.18 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.35 125.93 26.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.559 ' CE3' HD13 ' A' ' 51' ' ' LEU . 53.6 m95 -89.83 127.61 36.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.046 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 32.1 m-85 -115.63 155.92 26.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 91' ' ' LYS . 24.2 p90 -137.28 149.6 47.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.74 127.73 31.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.35 -141.97 8.77 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 -48.36 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -94.01 -58.01 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -137.13 -144.65 4.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.147 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -90.05 144.35 25.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.433 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 7.9 m95 -121.36 156.93 31.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -97.4 156.11 16.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.551 ' CD1' HG21 ' A' ' 47' ' ' THR . 47.8 m-85 -84.24 -171.06 3.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -80.19 -66.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 176.87 -51.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.453 ' CG ' ' N ' ' A' ' 47' ' ' THR . 31.9 ptt180 -65.15 -49.54 69.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.551 HG21 ' CD1' ' A' ' 43' ' ' TYR . 1.5 m -44.94 -42.3 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.6 m -71.68 -44.79 63.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -25.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.28 -37.65 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.559 HD13 ' CE3' ' A' ' 32' ' ' TRP . 85.7 mt -54.41 -52.71 60.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.525 ' OE2' ' CE2' ' A' ' 30' ' ' TYR . 15.0 tt0 -65.13 -55.36 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -44.31 -49.81 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.05 -58.28 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.482 ' HA ' HD13 ' A' ' 75' ' ' LEU . 24.6 t80 -42.05 -52.23 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.26 -57.26 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.435 ' HE3' ' CE ' ' A' ' 59' ' ' LYS . 4.7 mmmt -47.72 -42.14 24.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.14 -7.68 16.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' CE ' ' HE3' ' A' ' 57' ' ' LYS . 57.5 mttm -48.09 139.68 7.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.46 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 4.4 mptt -76.44 -54.93 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -117.49 150.8 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.874 HG22 ' HB3' ' A' ' 73' ' ' ALA . 11.1 t -129.27 141.88 50.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -86.69 114.91 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.736 ' SD ' ' HB2' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -125.2 125.54 43.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.088 HD13 HD22 ' A' ' 70' ' ' LEU . 14.7 tp -99.99 112.48 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.8 HD12 ' CD2' ' A' ' 71' ' ' TYR . 1.8 mt -100.03 -169.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.79 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -36.5 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 37.24 44.48 1.11 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.557 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.5 m-85 -143.85 121.39 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.764 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.088 HD22 HD13 ' A' ' 65' ' ' LEU . 3.3 mm? -78.0 108.36 11.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.8 ' CD2' HD12 ' A' ' 66' ' ' ILE . 15.0 m-85 -119.09 165.37 14.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.8 m -140.02 132.02 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.874 ' HB3' HG22 ' A' ' 62' ' ' THR . . . -99.11 116.62 31.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 19.2 t0 -100.36 101.78 12.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 55' ' ' PHE . 8.2 mt -70.78 -37.12 73.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.46 ' HG3' ' CG ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -46.55 -43.58 17.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -102.01 -12.49 18.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.422 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 4.3 tpt 70.17 38.1 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' CG1' ' C ' ' A' ' 78' ' ' MET . 1.1 m -149.77 146.52 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -112.03 148.7 33.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 3.4 p90 -148.24 159.23 44.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -61.28 144.93 52.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.27 -73.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -75.28 -51.05 14.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 87' ' ' GLY . 1.5 mm-40 -74.65 60.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.55 -26.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 85' ' ' GLU . . . -49.6 -66.48 2.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 2.4 mmp_? -55.15 113.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 0.737 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.495 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 1.1 ptp180 -152.1 162.58 40.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.83 150.0 9.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 2.3 mtmm -66.95 155.71 37.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 5.5 pt -132.6 157.75 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.47 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -153.65 166.01 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -131.08 109.04 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -107.33 116.23 31.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 56.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.501 ' CD1' ' NH1' ' A' ' 94' ' ' ARG . 23.5 p90 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.487 0.184 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.28 173.54 9.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.679 ' HH2' HD22 ' A' ' 75' ' ' LEU . 34.0 m95 -117.78 145.1 44.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 107.996 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 31.2 m-85 -133.68 161.13 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 41' ' ' TRP . 31.9 p90 -130.35 156.37 44.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.34 109.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -113.97 -160.93 13.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.07 -64.82 0.77 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -54.84 -40.01 69.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.84 -70.72 0.2 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -130.19 126.41 37.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.426 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 6.5 m95 -116.45 150.38 37.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.559 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.1 tt0 -89.44 161.02 16.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.46 ' OH ' HG22 ' A' ' 92' ' ' ILE . 48.1 m-85 -89.45 -175.98 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.8 -74.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -176.54 -41.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -70.01 -48.8 56.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -42.63 -54.8 3.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.7 p -60.1 -40.72 90.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -29.14 35.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -89.6 -25.96 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.21 -57.38 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.89 -50.81 65.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -51.63 -56.79 11.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.21 -63.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.685 ' HA ' HD13 ' A' ' 75' ' ' LEU . 26.5 t80 -39.0 -45.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 t -65.79 -56.22 13.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -52.15 -41.05 62.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.26 -9.41 17.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.823 ' O ' HD12 ' A' ' 75' ' ' LEU . 22.3 mttm -43.31 123.93 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.94 -55.05 21.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -114.26 141.59 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.844 HG22 ' HB3' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -123.04 153.51 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -110.74 146.99 35.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.19 120.68 3.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 tp -81.47 110.35 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.697 HG22 ' H ' ' A' ' 67' ' ' ALA . 3.7 mm -97.94 176.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.697 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -38.06 92.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 43.83 50.13 7.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 68' ' ' GLY . 11.6 m-85 -166.09 109.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.68 HD22 ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -73.07 120.02 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.605 ' CD2' HG13 ' A' ' 66' ' ' ILE . 18.8 m-85 -119.46 161.67 20.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.655 HG23 ' CE1' ' A' ' 81' ' ' TYR . 3.2 m -137.11 144.07 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.844 ' HB3' HG22 ' A' ' 62' ' ' THR . . . -111.82 124.05 51.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' MET . 0.7 OUTLIER -98.91 96.99 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 59' ' ' LYS . 21.4 mt -66.85 -29.66 69.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.1 -52.05 47.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -102.66 -4.51 25.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER 63.58 55.96 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.627 HG12 ' HG2' ' A' ' 91' ' ' LYS . 2.5 m -138.83 -173.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.488 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 9.9 mt-30 -152.64 131.67 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.655 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.6 p90 -141.66 156.23 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.463 ' CZ ' ' HG3' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -65.34 163.89 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.68 ' HG3' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -73.11 -75.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -66.86 -53.66 30.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 4.5 mm-40 -84.72 83.13 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -60.48 -19.3 56.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.575 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.44 -65.02 3.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 64.5 mmt-85 -56.8 111.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.5 OUTLIER -162.53 172.05 16.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.61 169.32 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.627 ' HG2' HG12 ' A' ' 79' ' ' VAL . 1.4 tttt -84.08 152.86 24.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.507 HG12 ' CA ' ' A' ' 79' ' ' VAL . 7.8 pt -130.8 153.05 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -141.73 161.48 37.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.501 ' NH1' ' CD1' ' A' ' 30' ' ' TYR . 7.0 ttp85 -104.76 116.05 31.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -107.68 176.38 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 30' ' ' TYR . 10.0 p90 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.477 0.179 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.65 133.88 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.592 ' CH2' HD22 ' A' ' 75' ' ' LEU . 93.3 m95 -91.31 135.68 33.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.019 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.517 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 28.3 m-85 -132.05 132.71 43.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 21.6 p90 -113.26 145.83 40.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.22 133.92 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.32 -164.1 10.29 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -51.44 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -67.08 -48.21 68.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.67 -76.06 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.138 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.585 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 80.8 m95 -127.58 130.03 48.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -119.31 150.03 40.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 108.039 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.3 OUTLIER -91.79 133.86 35.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 51.5 m-85 -60.39 179.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -68.07 -75.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -176.65 -56.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ARG . 27.4 ttt180 -61.88 -57.13 12.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -41.12 -32.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.41 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 51' ' ' LEU . 58.6 m -78.26 -44.63 25.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.05 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' ARG . 93.3 mtt180 -43.26 -31.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -80.85 -40.06 25.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' SER . 19.6 mt -58.34 -66.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.04 -45.11 7.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -52.74 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.98 -64.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.407 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 30.5 t80 -39.39 -51.01 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -62.0 1.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -42.26 -44.86 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.24 -11.21 7.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -48.59 134.25 15.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -82.52 -51.56 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -113.66 142.62 45.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.604 ' OG1' ' HB3' ' A' ' 73' ' ' ALA . 5.1 p -121.63 159.49 26.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -115.79 151.03 35.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -159.71 120.87 3.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.95 HD13 HD12 ' A' ' 70' ' ' LEU . 1.8 tp -85.33 126.24 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.735 HG22 ' H ' ' A' ' 67' ' ' ALA . 2.4 mm -118.84 -178.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.735 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -37.99 92.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 40.84 46.82 3.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.504 ' CE1' ' NH1' ' A' ' 82' ' ' ARG . 8.5 m-85 -157.48 114.45 2.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.95 HD12 HD13 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -77.07 126.21 30.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CD2' HG13 ' A' ' 66' ' ' ILE . 23.8 m-85 -123.82 159.98 28.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.2 m -138.8 144.54 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.604 ' HB3' ' OG1' ' A' ' 62' ' ' THR . . . -116.82 110.78 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.468 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 22.1 t0 -92.88 104.39 16.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.592 HD22 ' CH2' ' A' ' 32' ' ' TRP . 11.2 mt -74.66 -21.23 59.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.47 -53.27 56.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 78' ' ' MET . 40.1 m-80 -100.69 -3.58 29.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.444 ' C ' ' CG1' ' A' ' 92' ' ' ILE . 0.0 OUTLIER 66.23 47.7 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.419 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.3 m -150.97 144.7 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.31 149.64 35.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 1.4 p90 -148.36 159.29 44.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.504 ' NH1' ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -69.77 134.09 48.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.865 ' HD3' HD23 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -56.47 -68.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.175 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -54.83 -57.61 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 19.8 mp0 -101.43 98.57 8.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -64.81 -16.89 63.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.61 -66.34 2.73 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.64 113.22 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 0.798 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.18 164.0 38.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -159.75 157.57 29.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 4.4 mttt -76.07 156.05 34.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.444 ' CG1' ' C ' ' A' ' 78' ' ' MET . 7.7 pt -134.81 144.25 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.585 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -143.05 142.25 31.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.407 ' NH1' ' CE2' ' A' ' 55' ' ' PHE . 14.1 ttp180 -107.22 105.43 15.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 30' ' ' TYR . 11.2 t0 -100.37 -172.43 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 96' ' ' ILE . 18.7 p90 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.485 0.184 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.81 144.83 25.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.625 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 40.6 m95 -101.79 150.61 22.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 107.948 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' ' 92' ' ' ILE . 41.0 m-85 -134.53 134.92 41.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 20.8 p90 -116.35 140.83 48.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.62 110.39 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.14 -169.3 21.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -61.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -58.25 -40.17 81.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.01 -70.97 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -131.27 127.62 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.449 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 4.3 m95 -113.49 145.02 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 107.992 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -86.81 162.53 17.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -90.44 -170.43 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.32 -69.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 175.69 -51.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -71.61 -54.52 10.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -41.17 -46.57 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.45 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.569 ' HA ' HD12 ' A' ' 51' ' ' LEU . 77.5 p -70.79 -44.14 67.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -48.12 -33.61 8.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -75.49 -31.66 60.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 48' ' ' SER . 62.4 mt -61.58 -44.93 96.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.59 -63.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -41.44 -45.39 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.45 -64.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -43.21 -48.05 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.58 -62.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -44.51 -33.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LYS . . . 120.73 -8.68 10.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.685 ' O ' HD23 ' A' ' 75' ' ' LEU . 8.9 mttp -51.92 94.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 0.805 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -42.21 -28.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.803 ' HA ' HD22 ' A' ' 75' ' ' LEU . 15.5 p30 -163.11 148.11 11.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.3 t -124.86 144.2 50.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.484 ' HG3' HG13 ' A' ' 72' ' ' VAL . 7.4 mp0 -94.77 126.6 40.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.674 ' O ' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -118.59 166.94 12.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.9 tp -124.83 107.2 10.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.569 HG22 ' N ' ' A' ' 67' ' ' ALA . 19.8 mm -87.29 170.9 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.569 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -42.77 92.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 52.83 47.93 58.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -164.56 99.91 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.899 HD13 ' HD2' ' A' ' 83' ' ' ARG . 0.9 OUTLIER -67.38 121.31 15.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CD2' HG13 ' A' ' 66' ' ' ILE . 9.9 m-85 -121.09 165.71 14.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.5 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 23.0 t -133.66 121.11 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.56 ' HB2' ' SD ' ' A' ' 64' ' ' MET . . . -101.56 120.93 41.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.489 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 42.8 t0 -104.71 125.55 50.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.803 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.3 OUTLIER -92.3 -33.88 14.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.9 mt-10 -51.33 -43.45 61.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 78' ' ' MET . 5.9 m120 -102.1 -8.95 20.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.408 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 62.69 49.13 3.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.469 ' N ' HG12 ' A' ' 92' ' ' ILE . 2.9 m -139.13 178.5 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 5.0 mt-30 -143.96 119.0 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.5 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 9.2 p90 -128.4 143.57 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -49.8 165.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.899 ' HD2' HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -83.63 -53.64 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.07 -44.74 16.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -102.81 78.19 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -55.19 -28.78 55.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.54 -54.11 11.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.102 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 14.1 mtp-105 -71.52 111.89 7.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.501 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -153.44 173.34 15.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.68 169.3 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -88.26 135.2 33.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.512 HD12 ' CE3' ' A' ' 32' ' ' TRP . 6.7 pt -124.37 147.71 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.5 137.21 28.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.414 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 25.6 ttp180 -95.83 111.25 23.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.65 145.9 47.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 13.7 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.7 p90 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.456 0.17 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.453 ' HB1' ' CD ' ' A' ' 42' ' ' GLN . . . -131.73 150.38 52.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.555 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 58.7 m95 -94.0 136.02 34.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 42' ' ' GLN . 14.8 m-85 -124.39 154.3 40.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CB ' HG22 ' A' ' 92' ' ' ILE . 17.0 p90 -141.05 141.62 34.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 39' ' ' GLY . 0.7 OUTLIER -46.61 116.98 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.12 -157.23 10.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -64.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -56.04 -44.6 78.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . 174.92 -70.63 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -132.26 118.38 19.41 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -106.82 145.9 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 107.981 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.514 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 1.8 tt0 -90.63 132.35 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.676 ' OH ' HG21 ' A' ' 92' ' ' ILE . 60.9 m-85 -50.47 178.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 33.4 m-20 -64.18 -74.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 7.0 tt0 165.99 -28.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 47' ' ' THR . 5.0 ptp180 -80.78 -31.71 35.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.496 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 1.5 m -69.75 -60.74 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -39.79 -42.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -40.31 -29.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 48' ' ' SER . 41.1 mm-40 -94.36 -37.53 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HB3' ' CD2' ' A' ' 32' ' ' TRP . 3.9 mp -52.88 -46.81 68.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 11.3 pt-20 -71.2 -52.7 17.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.432 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 2.7 m-20 -48.65 -56.61 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 59' ' ' LYS . . . -56.69 -66.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -38.26 -36.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.9 t -80.22 -61.27 2.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -45.45 -43.26 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.21 -16.98 4.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.662 ' O ' HD23 ' A' ' 75' ' ' LEU . 41.4 mttm -44.4 105.13 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.99 -23.58 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.798 ' HA ' HD22 ' A' ' 75' ' ' LEU . 20.0 p30 -164.51 150.0 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.9 t -128.37 148.02 50.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -90.2 166.84 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.641 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -164.8 114.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.002 HD13 HD12 ' A' ' 70' ' ' LEU . 8.4 tp -84.97 102.0 12.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.961 HD12 ' CD2' ' A' ' 71' ' ' TYR . 3.6 mt -90.01 -177.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.8 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -38.55 93.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 42.51 47.41 5.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.488 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.5 m-85 -155.46 105.69 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.002 HD12 HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -73.4 109.63 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.961 ' CD2' HD12 ' A' ' 66' ' ' ILE . 14.5 m-85 -109.89 159.47 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.528 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 47.0 t -136.78 116.13 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.641 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -99.9 121.14 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.537 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 43.6 t0 -101.88 133.81 46.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.798 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.3 OUTLIER -94.42 -36.46 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -43.72 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -101.7 -9.31 20.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.49 55.33 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.543 HG23 ' N ' ' A' ' 80' ' ' GLN . 1.0 OUTLIER -146.53 -170.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.543 ' N ' HG23 ' A' ' 79' ' ' VAL . 2.9 pt20 -156.59 122.18 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.528 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 11.6 p90 -123.6 157.61 33.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -72.9 128.59 35.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.481 ' HG2' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -47.09 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.67 -58.56 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -102.53 102.31 12.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -69.23 -25.98 64.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.595 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.16 -63.07 3.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.03 115.88 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.457 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 2.8 ptm180 -163.42 160.49 23.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.62 165.89 26.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -88.22 143.75 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.676 HG21 ' OH ' ' A' ' 43' ' ' TYR . 19.8 pt -120.66 161.94 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -154.07 141.31 19.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -91.25 114.35 26.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -107.52 173.82 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 30' ' ' TYR . 1.9 p90 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.513 0.197 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -166.8 149.12 6.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.587 ' CH2' HD22 ' A' ' 75' ' ' LEU . 48.5 m95 -102.18 149.27 24.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 107.994 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.494 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 31.6 m-85 -131.58 150.0 52.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 9.6 p90 -135.58 147.0 48.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.481 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -37.6 136.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.87 -171.07 13.95 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.83 -32.09 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -101.04 -47.13 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -155.13 -101.76 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -117.74 131.21 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.485 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 10.0 m95 -109.5 140.11 43.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -90.76 155.62 18.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.541 ' CE2' ' CD1' ' A' ' 51' ' ' LEU . 49.0 m-85 -78.89 -176.58 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -77.98 -66.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 177.36 -36.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -79.47 -53.89 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.5 m -47.14 -38.38 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.3 p -74.92 -42.45 57.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -24.05 17.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -90.56 -20.87 22.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.619 HD23 HG21 ' A' ' 62' ' ' THR . 77.1 mt -75.69 -38.6 58.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.58 -54.99 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -45.62 -49.54 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.25 -68.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -40.19 -45.0 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -66.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -41.37 -43.72 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.36 -11.41 5.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -59.64 111.93 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -63.31 -46.45 86.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.68 151.26 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.619 HG21 HD23 ' A' ' 51' ' ' LEU . 4.8 t -140.69 119.88 12.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -81.95 126.25 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.558 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -130.58 125.69 34.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.995 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.9 tp -87.61 115.2 24.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.693 HG22 ' H ' ' A' ' 67' ' ' ALA . 4.9 mm -97.77 176.46 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.693 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -40.84 93.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 46.98 47.32 19.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -160.87 101.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.629 HD13 ' HD2' ' A' ' 83' ' ' ARG . 0.7 OUTLIER -69.21 124.87 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.564 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.3 m-85 -124.81 163.53 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.405 ' CG2' ' HG3' ' A' ' 83' ' ' ARG . 98.7 t -138.62 115.07 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.558 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -90.87 115.41 27.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.476 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 7.8 t0 -99.79 107.96 20.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.587 HD22 ' CH2' ' A' ' 32' ' ' TRP . 15.7 mt -75.7 -28.1 58.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.36 -47.64 56.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.083 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.453 ' O ' HG13 ' A' ' 79' ' ' VAL . 21.4 m120 -101.61 -5.64 24.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 tpt 66.43 38.62 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.533 HG12 ' HG2' ' A' ' 91' ' ' LYS . 0.9 OUTLIER -145.54 147.53 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.72 137.89 51.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 3.3 p90 -133.23 150.7 51.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -59.88 135.51 57.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.629 ' HD2' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -52.16 -57.51 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -81.71 -49.81 10.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 2.7 tt0 -89.47 72.73 7.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -53.86 -34.5 59.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.586 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.78 -50.76 25.38 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -72.54 113.3 9.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.87 166.92 29.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.48 156.4 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.533 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -74.81 153.14 38.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.439 HD11 HD23 ' A' ' 75' ' ' LEU . 6.8 pt -132.63 152.99 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -155.28 135.15 12.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -93.37 121.85 35.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.01 175.16 9.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 1.1 mm . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.407 ' CE1' ' CB ' ' A' ' 52' ' ' GLU . 33.7 p90 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.494 0.188 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.98 153.98 21.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.933 ' CH2' HD22 ' A' ' 75' ' ' LEU . 37.8 m95 -112.08 152.52 28.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 92' ' ' ILE . 37.7 m-85 -133.43 155.13 50.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 41' ' ' TRP . 21.5 p90 -137.83 136.35 37.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -37.91 109.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.434 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -100.24 -158.82 28.16 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -82.24 -45.75 14.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 0.735 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -77.88 -41.19 37.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.73 -81.84 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -128.64 118.74 23.44 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.554 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 4.6 m95 -98.1 143.92 28.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.0 OUTLIER -94.08 121.89 36.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 90.6 m-85 -42.25 -61.93 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.8 t0 174.11 -78.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -178.78 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -81.27 -60.31 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.2 m -45.87 -38.03 6.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 p -77.27 -36.31 54.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -20.54 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -91.14 -34.31 15.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.424 HD23 HG21 ' A' ' 62' ' ' THR . 58.6 mt -60.77 -35.75 77.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' CB ' ' CE1' ' A' ' 30' ' ' TYR . 3.7 tp10 -71.93 -55.33 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -47.44 52.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.2 -70.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.689 ' HB2' HD13 ' A' ' 75' ' ' LEU . 13.8 t80 -45.85 -30.66 1.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.1 t -77.86 -63.35 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -44.56 -40.8 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.96 -13.62 3.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -66.63 111.31 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.622 ' O ' HD12 ' A' ' 75' ' ' LEU . 69.3 mmtt -76.68 -46.12 26.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.18 114.56 28.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.424 HG21 HD23 ' A' ' 51' ' ' LEU . 9.0 t -115.37 119.55 36.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 72' ' ' VAL . 2.1 mp0 -91.45 137.17 32.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.588 ' HE1' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -130.97 123.77 29.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.98 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 70' ' ' LEU . 8.4 tt -86.76 101.18 13.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.569 HG22 ' N ' ' A' ' 67' ' ' ALA . 39.8 mm -78.95 170.07 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.569 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -45.92 90.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 59.37 44.7 96.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.456 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -160.09 96.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.632 ' CD2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -67.55 107.53 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.614 ' CE1' ' CG ' ' A' ' 82' ' ' ARG . 9.2 m-85 -107.61 156.08 19.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 27.4 t -131.91 124.66 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.588 ' HB2' ' HE1' ' A' ' 64' ' ' MET . . . -107.36 111.07 23.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.9 116.47 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.933 HD22 ' CH2' ' A' ' 32' ' ' TRP . 2.8 mt -88.55 -32.11 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.486 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -57.05 -39.64 75.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -101.36 -2.91 29.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.46 42.19 24.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.853 HG22 ' HA ' ' A' ' 91' ' ' LYS . 2.7 t -142.16 167.52 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.557 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 9.3 pt20 -137.86 134.21 34.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.401 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 8.3 p90 -139.87 156.95 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.614 ' CG ' ' CE1' ' A' ' 71' ' ' TYR . 26.6 mtt180 -81.61 138.49 35.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -59.1 5.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.8 -51.67 60.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -95.58 70.12 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -43.52 -41.74 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.567 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.01 -58.16 11.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.596 1.185 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.81 110.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 3.6 ptm180 -159.08 174.31 15.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -169.08 156.24 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.853 ' HA ' HG22 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -69.33 153.89 42.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.432 HD12 ' CZ3' ' A' ' 32' ' ' TRP . 3.5 pt -138.47 147.68 25.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -147.68 135.55 21.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.488 ' NH1' ' CE1' ' A' ' 55' ' ' PHE . 31.9 ttp180 -93.48 122.82 36.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.71 169.2 15.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.603 ' CE2' ' HD2' ' A' ' 94' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.521 0.2 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -158.9 127.96 5.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.499 ' CE2' ' HB2' ' A' ' 94' ' ' ARG . 29.6 m95 -105.65 137.04 44.17 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.482 ' HB2' ' CG ' ' A' ' 93' ' ' LYS . 33.4 m-85 -115.95 159.42 21.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 28.8 p90 -137.85 154.88 49.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -44.13 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.535 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -98.28 163.4 21.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -47.48 66.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.1 -32.24 64.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.79 -67.75 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -135.15 131.93 37.42 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.535 ' CD1' ' HA3' ' A' ' 36' ' ' GLY . 9.2 m95 -121.45 136.34 54.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 107.989 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -75.28 149.98 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.514 ' OH ' HG22 ' A' ' 92' ' ' ILE . 33.2 m-85 -80.96 -175.32 5.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 3.2 t70 -73.0 -86.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 44' ' ' ASP . 10.3 tt0 177.54 -33.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 49' ' ' ARG . 14.0 ptp180 -67.86 -38.41 83.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.47 ' O ' HD13 ' A' ' 51' ' ' LEU . 1.7 m -74.91 -64.88 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.681 ' HA ' HD22 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -39.98 -33.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -49.91 -30.16 9.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.429 ' CG ' HD12 ' A' ' 51' ' ' LEU . 6.1 pt-20 -94.63 -36.19 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 48' ' ' SER . 2.8 mp -48.05 -50.59 27.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 12.6 pt-20 -68.97 -52.76 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 5.9 m-20 -42.65 -59.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.49 ' HB1' ' HB2' ' A' ' 59' ' ' LYS . . . -60.09 -67.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.543 ' HB2' HD13 ' A' ' 75' ' ' LEU . 35.3 t80 -37.31 -52.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -66.22 -61.86 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -41.73 -36.45 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.95 -10.16 8.93 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.49 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 9.7 mttm -46.8 148.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -54.91 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -121.35 152.83 38.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -147.21 121.02 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 72' ' ' VAL . 6.5 pt-20 -94.63 135.55 35.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.517 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -126.95 152.68 46.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.686 HD13 HD22 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -103.23 101.75 11.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.603 HG22 ' H ' ' A' ' 67' ' ' ALA . 16.4 mm -87.15 173.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.603 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -39.08 92.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 46.48 49.93 14.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.433 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 1.5 m-85 -159.48 113.33 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.686 HD22 HD13 ' A' ' 65' ' ' LEU . 4.5 mm? -76.33 115.69 16.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.521 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.0 m-85 -116.35 152.75 33.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 90.9 t -129.78 112.88 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.517 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -99.22 111.43 23.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -99.2 119.41 37.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 55' ' ' PHE . 50.8 mt -82.93 -30.88 28.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -47.19 42.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 78' ' ' MET . 17.2 m120 -100.84 -9.12 21.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.431 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 65.28 47.07 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.416 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.5 m -150.94 149.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.436 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 5.3 pt20 -117.84 132.81 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.442 ' CE1' ' CG1' ' A' ' 72' ' ' VAL . 1.7 p90 -130.19 155.71 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -62.48 127.47 31.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.461 ' HG3' ' CG2' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -45.34 -67.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -63.85 -59.81 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -88.29 85.06 6.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -59.44 -24.11 63.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.575 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.61 -62.74 4.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 17.7 mtp180 -61.24 112.31 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.426 ' HA ' ' HA ' ' A' ' 81' ' ' TYR . 1.4 ptt-85 -147.71 152.92 38.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.2 mtm-85 -143.12 150.25 39.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.28 154.88 41.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.514 HG22 ' OH ' ' A' ' 43' ' ' TYR . 4.8 pt -140.63 155.71 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.482 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -152.18 159.87 43.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.603 ' HD2' ' CE2' ' A' ' 30' ' ' TYR . 9.4 ttp-105 -119.5 134.01 55.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -148.89 165.22 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.8 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 16.8 p90 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.44 0.162 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.13 141.77 51.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.525 ' CH2' HD22 ' A' ' 75' ' ' LEU . 65.5 m95 -89.75 149.84 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 20.3 m-85 -135.79 145.96 47.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.503 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 16.1 p90 -138.86 129.54 26.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 39' ' ' GLY . 2.1 tt0 -44.73 145.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.32 -130.02 2.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.08 -56.54 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -70.69 -59.28 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . -156.7 -93.24 0.1 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -121.25 149.08 43.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 7.4 m95 -120.5 144.7 47.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.58 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -98.56 120.29 38.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.423 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 93.2 m-85 -49.09 179.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 27.1 t0 -83.68 -64.82 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 3.4 tt0 163.54 -27.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -71.05 -43.79 67.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.472 HG22 HD11 ' A' ' 51' ' ' LEU . 2.3 m -70.19 -63.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.506 ' HA ' HD22 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -38.56 -44.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.049 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.59 -28.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 48' ' ' SER . 5.0 mm-40 -94.87 -36.75 11.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 48' ' ' SER . 3.8 mp -50.63 -44.22 57.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 1.3 tm-20 -76.57 -51.26 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -48.52 -44.4 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.468 ' CB ' ' HB ' ' A' ' 62' ' ' THR . . . -70.51 -61.83 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 3.2 t80 -37.05 -35.95 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 t -88.66 -54.63 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -40.95 -46.86 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.76 -5.96 16.19 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.125 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 61' ' ' ASN . 17.7 mttt -54.02 -28.16 36.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 0.8 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER 66.45 -58.26 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 59' ' ' LYS . 1.1 m120 -102.31 113.41 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.468 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 9.1 t -108.08 123.97 49.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.68 124.18 33.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . 0.788 ' HE1' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -120.65 143.96 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.552 HD13 HD22 ' A' ' 70' ' ' LEU . 2.5 tp -118.49 110.24 17.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.839 HD12 ' CD2' ' A' ' 71' ' ' TYR . 4.3 mt -94.65 -179.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.772 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -41.33 92.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 48.45 46.65 29.23 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.414 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -145.28 114.65 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 0.723 . . . . 0.0 110.959 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.552 HD22 HD13 ' A' ' 65' ' ' LEU . 4.6 mm? -81.26 108.45 14.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.839 ' CD2' HD12 ' A' ' 66' ' ' ILE . 15.8 m-85 -119.5 151.87 37.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.8 t -136.19 116.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.788 ' HB2' ' HE1' ' A' ' 64' ' ' MET . . . -95.2 114.14 25.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.442 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 24.1 t0 -98.07 104.07 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.525 HD22 ' CH2' ' A' ' 32' ' ' TRP . 7.6 mt -74.47 -30.55 61.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -50.09 -44.77 52.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.427 ' O ' HG13 ' A' ' 79' ' ' VAL . 21.0 m-80 -101.35 -8.09 22.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.4 tpt 68.36 36.09 3.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.657 HG12 ' HG2' ' A' ' 91' ' ' LYS . 1.3 m -142.48 147.32 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.482 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 5.8 pt20 -114.73 133.52 55.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 4.5 p90 -130.6 156.32 45.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' HG3' ' CB ' ' A' ' 88' ' ' ARG . 39.6 mtt180 -73.02 135.46 44.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.452 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 1.5 ttt180 -55.59 -56.68 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -73.28 -47.15 45.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -93.52 60.25 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -41.61 -30.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.598 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.39 -57.02 20.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.439 ' CB ' ' HG3' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -60.85 117.74 5.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.413 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 21.3 ptt180 -157.2 167.64 29.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.71 158.98 43.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.657 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -83.12 135.13 34.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.504 HD11 HD23 ' A' ' 75' ' ' LEU . 23.1 pt -112.27 160.93 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -154.05 163.64 39.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -118.34 111.36 18.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -105.34 170.53 7.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 111.017 -0.417 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 p -128.4 166.03 19.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -166.14 170.48 13.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.72 140.59 5.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 m -131.25 -58.58 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.986 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.79 -58.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.48 -163.44 14.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -133.43 173.69 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mp -123.8 -66.52 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 60.42 155.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -156.17 140.74 11.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 18.4 Cg_endo -74.95 178.76 6.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.451 1.764 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -95.64 148.13 22.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tp -155.67 24.04 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mp 61.32 171.82 0.11 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.5 p -64.2 158.19 65.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -8.62 20.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.427 1.751 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -43.14 9.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -33.36 63.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' C ' ' N ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -81.12 -51.39 8.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.08 -28.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 20' ' ' LEU . . . -43.77 -62.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 25' ' ' ARG . . . -91.47 -47.69 7.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -39.22 -30.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -47.06 -66.63 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.258 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.23 -33.37 8.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.33 -6.14 41.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.733 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -75.61 -91.45 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 96' ' ' ILE . 0.7 OUTLIER -168.81 -167.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.337 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 8.1 p90 -126.62 168.5 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.586 ' HB3' ' CG1' ' A' ' 97' ' ' ILE . . . -161.76 155.09 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.648 ' CH2' HD22 ' A' ' 75' ' ' LEU . 38.7 m95 -100.09 144.11 29.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 13.6 m-85 -124.26 127.08 47.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.405 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 28.6 p90 -107.79 136.88 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -48.34 144.1 4.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -143.4 -142.84 4.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -68.43 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -55.41 -50.7 69.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.07 -79.76 0.05 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -129.83 152.45 49.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.405 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 23.4 m95 -130.69 144.92 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 108.001 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.498 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 1.6 tt0 -89.02 135.87 33.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -62.48 -170.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.97 -68.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 178.29 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -80.31 -50.5 10.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 m -44.53 -31.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.354 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.8 p -84.09 -38.58 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -49.54 -22.86 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -86.89 -38.7 16.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.21 -30.93 71.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.563 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -84.36 -49.79 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.26 -48.79 67.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.39 -59.73 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.788 ' HB2' HD13 ' A' ' 75' ' ' LEU . 9.8 t80 -48.44 -51.19 28.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -62.42 -60.83 2.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -41.2 -39.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.9 -8.48 6.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -57.51 140.16 51.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 0.0 109.256 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.415 ' HB3' ' CG ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -95.76 -47.25 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -122.23 123.62 41.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -117.43 132.07 56.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -96.32 130.82 43.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.635 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 6.9 ptp -123.44 146.62 47.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.592 HD13 HD22 ' A' ' 70' ' ' LEU . 1.5 tp -117.4 106.43 13.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.7 HG22 ' H ' ' A' ' 67' ' ' ALA . 3.8 mt -87.77 177.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.7 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -42.54 92.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 51.59 46.91 53.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.665 ' CD1' ' CE2' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -149.33 106.93 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 111.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.592 HD22 HD13 ' A' ' 65' ' ' LEU . 4.6 mm? -76.2 107.95 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.665 ' CE2' ' CD1' ' A' ' 69' ' ' PHE . 15.6 m-85 -118.86 153.28 34.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.538 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 21.4 t -132.04 119.34 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.635 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -102.8 126.34 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.78 117.02 32.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.788 HD13 ' HB2' ' A' ' 55' ' ' PHE . 18.3 mt -79.51 -25.17 41.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.415 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 1.8 mm-40 -51.91 -49.27 63.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -101.46 -4.93 25.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.69 48.44 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.06 -174.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 7.3 pt20 -153.08 126.81 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.538 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 3.5 p90 -123.73 155.81 37.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.554 ' NH1' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -67.93 131.4 45.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.493 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -44.34 -59.04 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -81.58 -49.22 10.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -85.21 78.72 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -57.48 -33.32 67.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.83 -56.87 21.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -64.51 112.5 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.434 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 10.3 ptt180 -159.27 158.27 32.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -140.66 168.2 20.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -88.87 157.68 18.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 18.9 pt -135.42 147.07 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -145.65 134.35 22.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -85.69 118.19 25.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -118.78 161.61 19.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.533 ' O ' HD13 ' A' ' 97' ' ' ILE . 22.3 mt -90.87 137.17 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.586 ' CG1' ' HB3' ' A' ' 31' ' ' ALA . 35.8 mm -123.03 169.28 14.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.564 ' N ' HG22 ' A' ' 97' ' ' ILE . 2.8 p30 -113.65 83.08 1.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.653 HG23 ' HD2' ' A' ' 100' ' ' PRO . 21.5 mm -105.77 141.56 22.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 99' ' ' ILE . 18.3 Cg_endo -74.98 64.4 6.03 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -69.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -40.65 -53.05 2.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -43.34 -66.35 1.24 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.57 1.169 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.638 ' O ' HG23 ' A' ' 104' ' ' VAL . 30.9 m -78.21 77.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.3 m -63.86 153.12 37.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.954 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.59 76.51 0.2 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 167.53 26.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.98 167.83 20.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.043 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.0 m -73.08 143.34 47.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -176.69 147.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t 66.73 160.15 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.56 174.19 42.83 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.4 p -136.35 170.69 15.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -133.75 -59.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.81 177.42 42.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -177.34 133.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -169.12 150.96 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -176.71 147.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -152.86 90.51 3.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 177.46 8.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 m -81.51 160.95 23.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.359 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mt -118.23 109.57 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp 174.36 178.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.29 168.76 17.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -15.57 20.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -88.88 -47.97 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -45.21 -48.51 12.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -58.39 8.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -45.63 -61.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.63 -65.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.83 -51.14 17.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.356 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.2 m -53.19 -39.24 63.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.4 mtp-105 -69.71 -13.03 62.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.256 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.41 -62.24 2.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.77 -64.58 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.01 81.61 1.53 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -114.96 104.2 11.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 0.752 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.465 ' CD2' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -37.77 134.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.4 ' CB ' HD11 ' A' ' 97' ' ' ILE . . . -156.55 119.64 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.837 ' CH2' HD22 ' A' ' 75' ' ' LEU . 27.6 m95 -88.95 127.33 35.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.013 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -112.23 160.44 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 21.6 p90 -143.53 147.79 35.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -42.29 120.55 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.416 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -115.06 -160.33 12.73 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.575 1.172 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.74 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -66.52 -44.48 82.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -159.44 -106.36 0.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -113.34 129.67 56.47 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.555 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 10.4 m95 -101.82 150.88 22.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.056 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.37 164.03 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -90.31 178.34 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.73 -65.86 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 176.95 -51.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' THR . 18.5 mtm180 -67.91 -53.2 28.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ARG . 3.3 m -38.43 -45.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' LEU . 70.6 p -70.54 -48.26 56.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -46.61 -25.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -89.02 -34.76 16.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.513 HD23 HG21 ' A' ' 62' ' ' THR . 89.2 mt -62.16 -47.4 84.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HG3' ' CD2' ' A' ' 30' ' ' TYR . 7.6 tm-20 -64.2 -58.22 7.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.45 -52.47 13.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.92 -70.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.658 ' HB2' HD13 ' A' ' 75' ' ' LEU . 11.0 t80 -38.34 -49.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.7 t -65.2 -60.57 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -45.03 -44.31 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.14 -17.82 4.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -49.91 100.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -60.3 -42.61 95.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -123.68 119.67 30.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.513 HG21 HD23 ' A' ' 51' ' ' LEU . 9.9 t -108.79 121.78 45.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.48 128.7 35.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.64 ' SD ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -126.46 130.05 49.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.608 HD13 HD22 ' A' ' 70' ' ' LEU . 2.3 tp -98.1 103.76 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.568 HG22 ' N ' ' A' ' 67' ' ' ALA . 14.5 mm -80.57 169.71 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.568 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -45.84 91.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 58.67 44.76 95.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.511 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 6.1 m-85 -155.78 100.97 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.608 HD22 HD13 ' A' ' 65' ' ' LEU . 4.6 mm? -68.11 111.08 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.553 ' CD2' HG13 ' A' ' 66' ' ' ILE . 10.6 m-85 -118.07 152.96 34.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.555 ' CG1' ' CE1' ' A' ' 81' ' ' TYR . 66.9 t -134.47 115.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.64 ' HB2' ' SD ' ' A' ' 64' ' ' MET . . . -94.65 111.23 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.442 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.7 t0 -96.85 110.97 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.837 HD22 ' CH2' ' A' ' 32' ' ' TRP . 43.6 mt -77.44 -32.77 54.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -47.19 -46.62 23.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.56 ' HB2' HG22 ' A' ' 79' ' ' VAL . 60.5 m-80 -102.42 -4.87 24.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.419 ' CE ' ' HA ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER 63.61 36.19 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.581 HG12 ' HG2' ' A' ' 91' ' ' LYS . 17.2 m -138.54 146.83 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 3.3 pt20 -113.47 126.09 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.555 ' CE1' ' CG1' ' A' ' 72' ' ' VAL . 5.2 p90 -123.69 153.77 40.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.28 131.8 46.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.48 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -45.13 -63.46 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -68.53 -57.73 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -86.65 82.83 7.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -59.57 -33.47 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.586 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.83 -54.91 26.04 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -65.21 111.07 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -151.49 163.13 39.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 mmt-85 -142.77 152.48 42.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.581 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -70.54 150.78 45.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.486 HD12 ' HZ3' ' A' ' 32' ' ' TRP . 6.1 pt -138.51 152.19 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.7 OUTLIER -151.06 162.39 40.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.577 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 3.1 ttp-105 -110.97 114.85 28.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -122.2 178.96 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 pt -136.51 128.72 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.4 HD11 ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -94.22 -169.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -131.3 74.2 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.655 HG23 ' HD2' ' A' ' 100' ' ' PRO . 30.1 mm -117.13 141.0 27.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.655 ' HD2' HG23 ' A' ' 99' ' ' ILE . 18.3 Cg_endo -75.01 54.66 3.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.778 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.72 -68.11 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.661 ' O ' HG23 ' A' ' 104' ' ' VAL . 2.9 tttm -41.31 -36.14 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 105' ' ' SER . . . -48.62 -55.18 11.45 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 102' ' ' LYS . 46.1 t 68.02 -68.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' GLY . 8.7 p 172.88 -37.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.951 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 144.92 143.28 3.97 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.62 26.88 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.9 p -112.0 172.25 7.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 86.5 p -117.42 159.97 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.76 158.95 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 178.59 170.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.06 172.77 35.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 p -170.75 168.42 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 109.946 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.1 p -176.96 167.0 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.74 132.81 1.74 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -174.87 150.5 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tt -156.29 93.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -175.37 125.74 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.364 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.46 70.02 39.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -169.38 0.62 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.557 HG23 ' H ' ' A' ' 14' ' ' LEU . 1.7 t -156.6 -58.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.557 ' H ' HG23 ' A' ' 13' ' ' THR . 0.4 OUTLIER 61.33 -178.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.77 178.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.71 164.95 56.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.18 15.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.3 -44.73 19.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -52.55 58.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -47.08 -59.68 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' LEU . 39.4 mttt -40.42 -56.02 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.82 -58.63 7.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.18 -45.5 11.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -45.37 -42.79 10.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -49.55 -22.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.81 -67.53 1.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.71 -63.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.97 93.45 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 13.3 mm-40 -134.13 -175.26 3.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 0.748 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 4.5 p90 -98.88 137.2 37.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.663 ' HB3' HG13 ' A' ' 97' ' ' ILE . . . -139.09 147.24 41.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.671 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 52.1 m95 -101.18 153.73 19.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 19.2 m-85 -143.87 129.77 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 23.9 p90 -105.35 142.77 34.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.48 112.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.7 176.04 16.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.127 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -61.33 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.798 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -56.87 -25.48 56.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.53 -65.04 0.38 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -139.79 136.96 34.62 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.423 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 14.4 m95 -125.21 147.67 48.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.8 tt0 -90.88 161.68 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -90.77 -174.21 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.17 -77.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -178.8 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' ARG . 15.2 mmt180 -77.88 -54.85 5.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 m -40.94 -31.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.7 p -85.34 -43.15 13.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' ARG . 3.9 mtt-85 -49.89 -27.82 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -80.44 -31.32 37.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.454 HD11 ' NE2' ' A' ' 80' ' ' GLN . 42.8 mt -60.22 -40.42 90.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 3.3 tp10 -69.89 -58.96 3.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.335 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -42.62 -46.78 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 59' ' ' LYS . . . -69.46 -53.8 17.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.432 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 22.9 t80 -49.59 -44.25 46.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.9 t -72.43 -62.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -40.43 -35.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.66 -9.82 7.64 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.69 ' O ' HD23 ' A' ' 75' ' ' LEU . 27.1 mttm -53.86 97.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.415 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 1.8 mptt -50.09 -23.19 1.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.777 ' HA ' HD22 ' A' ' 75' ' ' LEU . 19.3 p30 -166.15 154.53 10.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -131.09 150.5 52.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -98.95 127.26 44.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.405 ' SD ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -122.02 152.73 39.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.746 ' CD1' HD22 ' A' ' 70' ' ' LEU . 2.0 tp -116.78 105.17 12.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.642 HG22 ' H ' ' A' ' 67' ' ' ALA . 6.6 mm -86.81 174.38 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.642 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -40.42 92.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 48.71 49.23 28.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.496 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.0 m-85 -155.36 111.21 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.746 HD22 ' CD1' ' A' ' 65' ' ' LEU . 4.6 mm? -73.0 113.22 9.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.593 ' CE1' ' HG2' ' A' ' 82' ' ' ARG . 11.6 m-85 -121.6 156.95 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.57 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 74.9 t -136.11 123.9 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.516 ' CB ' ' CG ' ' A' ' 80' ' ' GLN . . . -101.62 131.68 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.476 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 31.5 t0 -115.17 124.2 50.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.777 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -91.35 -35.72 14.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.3 mt-10 -49.16 -45.51 43.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.402 ' O ' HG13 ' A' ' 79' ' ' VAL . 85.1 m-20 -102.65 -10.48 19.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.407 ' HB3' ' O ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER 62.73 53.63 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.46 ' CA ' HG12 ' A' ' 92' ' ' ILE . 3.1 m -149.64 143.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.516 ' CG ' ' CB ' ' A' ' 73' ' ' ALA . 2.8 mt-30 -109.53 121.38 45.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 6.1 p90 -126.53 148.44 49.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.593 ' HG2' ' CE1' ' A' ' 71' ' ' TYR . 1.3 mmt85 -59.44 140.36 56.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.503 ' HD3' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -49.85 -47.82 51.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -97.18 -55.21 2.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 4.9 mm-40 -69.56 57.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -44.56 -31.36 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.649 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.44 -44.9 97.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.29 110.72 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.481 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 26.7 ptt85 -158.84 165.03 35.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 89' ' ' ARG . 3.2 mmt-85 -142.55 163.06 33.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.43 ' HG2' HG12 ' A' ' 79' ' ' VAL . 10.5 mttt -81.76 131.61 35.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.46 HG12 ' CA ' ' A' ' 79' ' ' VAL . 30.7 pt -117.68 144.1 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -137.62 165.72 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -123.28 122.77 39.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -128.55 169.04 14.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.932 ' O ' HD13 ' A' ' 97' ' ' ILE . 6.1 mm -89.77 132.12 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.932 HD13 ' O ' ' A' ' 96' ' ' ILE . 1.6 mm -143.3 -142.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.567 ' H ' HG22 ' A' ' 97' ' ' ILE . 0.2 OUTLIER 77.38 120.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -123.1 161.89 42.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.95 4.43 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.564 ' HB2' HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -97.28 -69.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -96.51 -53.88 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 105' ' ' SER . . . -47.71 -59.18 6.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t 65.39 -76.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -131.19 153.52 49.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -100.83 121.95 7.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 177.61 8.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.3 p -159.77 147.25 16.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.1 p -175.99 172.58 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.968 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -174.32 160.46 3.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -172.61 151.87 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.8 177.68 18.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.575 1.172 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 p 176.23 90.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 110.021 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -173.26 141.61 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.47 93.85 0.1 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 54.13 106.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -160.28 78.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -100.82 -60.62 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -174.56 64.0 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 18.1 Cg_endo -75.03 66.63 6.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.856 ' O ' HD22 ' A' ' 14' ' ' LEU . 8.9 t -136.6 -178.56 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.856 HD22 ' O ' ' A' ' 13' ' ' THR . 1.0 OUTLIER -144.68 -164.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.7 mt -66.09 176.45 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -91.96 163.82 26.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.963 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.45 21.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -84.73 -47.11 10.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.45 -25.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -69.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -30.24 70.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.31 -40.33 67.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.19 -50.99 35.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -58.53 7.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -41.23 -29.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.83 ' CA ' HG22 ' A' ' 96' ' ' ILE . . . -49.5 -50.28 30.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -44.48 -26.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 26' ' ' GLY . . . -56.47 -84.06 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 28' ' ' GLY . 11.1 mm-40 -141.27 -155.49 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.604 ' CE2' ' OE1' ' A' ' 52' ' ' GLU . 18.6 p90 -124.91 175.87 7.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.707 ' HB3' HG13 ' A' ' 97' ' ' ILE . . . -163.86 144.96 8.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.51 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 51.3 m95 -89.71 153.5 20.66 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -139.87 139.25 36.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -117.76 150.24 39.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.57 113.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -113.21 -173.77 18.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -63.38 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.58 -56.55 20.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.01 -70.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -134.41 135.13 42.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -126.65 160.31 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.01 154.72 17.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.644 ' CE2' ' CD2' ' A' ' 51' ' ' LEU . 64.8 m-85 -74.69 -83.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 21.0 t0 -173.4 -65.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.482 ' OE1' ' CG2' ' A' ' 99' ' ' ILE . 6.1 tt0 161.98 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -73.9 -44.86 53.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.42 ' C ' HD13 ' A' ' 51' ' ' LEU . 1.2 m -71.35 -64.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -37.81 -44.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.65 -29.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 48' ' ' SER . 8.9 mm-40 -94.45 -38.75 10.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.644 ' CD2' ' CE2' ' A' ' 43' ' ' TYR . 4.2 mp -48.5 -48.77 37.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.604 ' OE1' ' CE2' ' A' ' 30' ' ' TYR . 11.9 tp10 -73.54 -57.42 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -40.03 -51.55 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.609 ' HB1' ' CB ' ' A' ' 59' ' ' LYS . . . -68.38 -62.84 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -41.09 -38.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 58' ' ' GLY . 26.8 t -79.56 -61.07 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -43.26 -27.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 117.04 -8.04 16.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.609 ' CB ' ' HB1' ' A' ' 54' ' ' ALA . 1.8 mttm -51.43 122.82 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' CD ' ' HG3' ' A' ' 76' ' ' GLU . 12.2 mmtt -66.45 -28.68 68.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.836 ' HA ' HD22 ' A' ' 75' ' ' LEU . 8.1 p30 -158.81 142.27 14.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.441 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 6.3 t -113.23 135.62 53.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -89.99 123.08 33.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.672 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -118.45 150.42 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.55 HD13 HD22 ' A' ' 70' ' ' LEU . 1.1 tp -113.63 104.69 12.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.567 HG22 ' N ' ' A' ' 67' ' ' ALA . 20.6 mm -87.68 172.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.567 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -40.79 92.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 49.29 49.13 32.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.494 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 2.5 m-85 -156.57 111.2 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 65' ' ' LEU . 4.5 mm? -73.45 113.21 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 69' ' ' PHE . 11.8 m-85 -119.85 156.7 30.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.526 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 44.9 t -135.78 116.51 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.672 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -95.64 109.71 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.573 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 2.9 t0 -91.93 126.41 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.836 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -94.11 -32.86 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.462 ' HG3' ' CD ' ' A' ' 60' ' ' LYS . 1.7 mt-10 -50.77 -44.13 58.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -101.43 -10.31 20.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.41 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 66.5 46.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.3 m -151.07 147.25 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 4.4 pt20 -112.48 131.68 55.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 2.8 p90 -129.94 156.94 43.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -67.91 160.51 28.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.46 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -75.22 -74.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -61.79 -41.11 97.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.86 68.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -27.35 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.626 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.39 -56.67 14.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 1.7 mmp_? -61.11 111.66 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.77 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 3.6 ptm180 -148.1 154.4 40.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -142.89 150.5 39.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.92 142.93 41.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.414 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 20.4 pt -128.72 162.9 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -152.63 164.98 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.432 ' NH1' ' OE2' ' A' ' 52' ' ' GLU . 4.8 ttp180 -111.53 111.43 22.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -105.43 166.3 10.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.851 ' O ' HD13 ' A' ' 97' ' ' ILE . 32.9 mt -97.84 133.19 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.851 HD13 ' O ' ' A' ' 96' ' ' ILE . 6.2 mm -144.12 -128.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.515 ' H ' HG22 ' A' ' 97' ' ' ILE . 49.7 t0 177.38 85.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.606 HG23 ' HD2' ' A' ' 100' ' ' PRO . 31.3 mm -76.41 141.06 69.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 99' ' ' ILE . 18.4 Cg_endo -75.01 74.48 4.0 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -81.23 -16.86 51.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -56.22 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -45.95 -58.8 5.36 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.0 m -69.36 147.33 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.8 p -158.6 149.12 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.48 111.52 3.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 134.02 17.27 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.7 t -76.92 166.89 22.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 m -74.69 150.79 39.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -176.94 149.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.148 . . . . 0.0 110.023 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -164.47 170.21 16.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.66 -170.71 29.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -156.13 156.7 34.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 109.991 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -95.74 109.92 22.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.18 94.37 0.84 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 8' ' ' PHE . 42.7 p90 -157.93 124.54 4.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.96 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt 70.14 122.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -166.31 -57.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 67.96 9.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 164.49 33.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.553 1.817 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.541 HG21 HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -51.22 143.56 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.442 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HA ' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -118.08 16.34 14.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.541 HD23 HG21 ' A' ' 13' ' ' THR . 3.8 pp -41.9 160.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.437 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -91.39 174.99 3.84 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.3 Cg_endo -74.99 -20.0 17.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -73.75 -36.62 65.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -54.42 -28.59 44.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -70.98 -54.0 12.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -40.92 97.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.05 -37.86 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.0 -56.67 11.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -63.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.957 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -40.79 -34.32 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 97' ' ' ILE . . . -47.92 -37.25 15.33 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.095 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -49.53 -22.53 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 0.78 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -38.75 -65.25 0.78 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.88 -166.52 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 24.6 p90 -143.92 131.01 20.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' HB1' ' NE2' ' A' ' 42' ' ' GLN . . . -103.12 157.18 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.456 ' CH2' HD22 ' A' ' 75' ' ' LEU . 46.4 m95 -99.89 154.77 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.028 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 43.2 m-85 -143.1 146.37 33.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 17.8 p90 -124.03 148.51 46.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' TYR . 36.1 tt0 -37.65 114.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.438 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -115.68 158.87 14.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.2 -50.93 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.76 -39.75 80.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.89 -64.16 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.501 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 91.9 m95 -134.38 129.17 34.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.449 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 6.5 m95 -115.84 144.88 43.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 108.015 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 4.6 tt0 -91.63 143.53 26.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CD1' HG21 ' A' ' 47' ' ' THR . 57.6 m-85 -68.08 169.17 10.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -56.64 -68.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 179.37 -41.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' THR . 1.3 ttt180 -71.9 -57.14 4.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.555 HG21 ' CD1' ' A' ' 43' ' ' TYR . 4.0 m -37.44 -50.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.371 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 49.4 m -63.89 -51.31 65.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -43.71 -27.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' SER . 8.5 mm-40 -91.67 -35.21 14.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.972 HD23 HG21 ' A' ' 62' ' ' THR . 69.2 mt -64.59 -52.21 58.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -40.3 72.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.59 -59.49 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.85 -64.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -44.66 -52.14 8.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LYS . 5.8 t -61.1 -66.34 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' SER . 38.5 mtmt -39.92 -43.41 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.99 -7.91 6.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -52.35 140.04 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.34 -51.98 5.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -118.22 122.4 42.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.972 HG21 HD23 ' A' ' 51' ' ' LEU . 4.2 t -105.64 128.78 53.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.71 120.9 29.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.411 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -120.6 159.18 25.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.435 ' C ' HD23 ' A' ' 65' ' ' LEU . 7.8 tt -125.69 104.33 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.571 HG22 ' N ' ' A' ' 67' ' ' ALA . 13.7 mm -83.4 170.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.571 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -44.24 90.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 57.67 46.66 91.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.49 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 17.6 m-85 -159.42 97.46 1.35 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 0.754 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HG ' ' CD ' ' A' ' 83' ' ' ARG . 0.2 OUTLIER -66.72 110.46 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 82' ' ' ARG . 11.4 m-85 -114.22 163.24 15.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.415 ' CG2' ' HG3' ' A' ' 83' ' ' ARG . 47.3 t -139.26 117.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.547 ' HB3' ' CG2' ' A' ' 62' ' ' THR . . . -91.46 118.72 30.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.573 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 9.7 t0 -102.05 103.38 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.456 HD22 ' CH2' ' A' ' 32' ' ' TRP . 14.4 mt -71.68 -38.02 70.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -44.59 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -102.65 -12.06 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.3 tpt 71.59 32.44 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.665 HG12 ' HG2' ' A' ' 91' ' ' LYS . 6.9 m -139.13 143.02 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.452 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 1.1 pt20 -111.61 133.93 53.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 3.2 p90 -130.48 154.44 47.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 2.6 ttm180 -70.04 140.25 52.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -53.88 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.61 -56.64 16.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.51 79.66 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -55.35 -32.41 62.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.627 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.95 -62.89 5.65 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.6 mmt-85 -53.61 112.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.437 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -154.59 167.47 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.62 158.74 41.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.665 ' HG2' HG12 ' A' ' 79' ' ' VAL . 4.8 mttm -78.94 146.95 33.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.452 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 13.0 pt -123.24 152.57 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.501 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -149.01 165.32 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.456 ' HD2' ' CD1' ' A' ' 30' ' ' TYR . 12.0 ttp180 -118.19 116.22 26.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -111.37 125.7 54.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.516 HD13 ' HB3' ' A' ' 30' ' ' TYR . 24.2 mm -58.19 133.33 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 98' ' ' ASP . 2.1 mm -134.42 161.02 41.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.437 ' N ' ' CG2' ' A' ' 97' ' ' ILE . 3.3 m-20 -72.98 -134.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.545 ' O ' HD12 ' A' ' 99' ' ' ILE . 2.0 pp -136.71 155.76 76.5 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.58 14.26 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -52.21 -56.26 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -23.95 6.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.37 -64.24 4.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 p -70.95 119.06 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.9 73.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -115.12 164.0 12.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.0 p -174.96 170.94 3.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t -131.07 150.01 52.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.097 . . . . 0.0 110.973 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -168.17 148.69 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.22 128.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.61 -135.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.65 -61.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.073 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.44 170.46 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 8' ' ' PHE . . . -141.72 -174.18 14.37 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 1.6 m-85 -176.24 173.85 2.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tp -166.61 148.35 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -177.0 166.91 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -67.08 131.14 93.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 18.2 Cg_endo -75.02 -56.78 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 14' ' ' LEU . 6.5 t -143.27 -166.07 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' THR . 0.5 OUTLIER -47.44 103.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 54.56 -178.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.36 170.96 5.66 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -17.66 19.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -81.25 -24.3 37.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -71.03 -35.46 72.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.895 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -64.09 -27.45 69.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -73.17 -9.15 58.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . -42.71 -28.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 21' ' ' LYS . . . -47.82 -24.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 22' ' ' ALA . 71.0 m -86.37 -68.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' ASN . 12.1 ptp180 -43.21 -27.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' ARG . . . -37.22 -32.24 0.07 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 25' ' ' ARG . 1.1 m-20 -45.34 -62.85 1.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 0.793 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.545 ' CA ' ' HB ' ' A' ' 97' ' ' ILE . . . -101.0 -100.14 2.4 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 1.7 mt-10 78.13 -80.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 44.8 p90 -132.77 150.43 52.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.764 ' HB2' HG13 ' A' ' 97' ' ' ILE . . . -145.74 148.01 32.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.683 ' CH2' HD22 ' A' ' 75' ' ' LEU . 77.7 m95 -99.61 130.05 45.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 107.995 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 20.6 m-85 -122.83 141.46 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 41' ' ' TRP . 21.8 p90 -112.78 135.26 53.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' CD ' ' A' ' 90' ' ' ARG . 0.2 OUTLIER -49.73 132.53 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.78 -170.38 12.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -60.01 4.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.62 -46.59 83.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . 170.28 -68.41 0.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -136.92 138.85 41.1 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 19.4 m95 -124.49 156.97 36.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 107.995 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -92.95 158.83 15.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 33.3 m-85 -90.37 -170.47 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.67 -72.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 178.45 -45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -68.07 -61.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 46' ' ' ARG . 2.5 m -36.76 -44.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.42 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 64.4 m -65.56 -49.95 66.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' ARG . 39.0 mtt180 -44.93 -26.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -87.95 -35.84 17.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' SER . 96.0 mt -59.45 -53.23 60.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.559 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 7.5 tm-20 -62.51 -59.29 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.33 -45.48 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.74 -65.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.527 ' HA ' HD13 ' A' ' 75' ' ' LEU . 23.4 t80 -42.46 -44.02 3.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -59.36 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -48.7 -41.89 33.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.12 -7.83 8.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -52.11 129.44 27.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.57 -54.29 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -114.05 145.28 41.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.998 HG22 ' HB3' ' A' ' 73' ' ' ALA . 6.4 t -126.05 159.56 32.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' OE1' ' NH1' ' A' ' 83' ' ' ARG . 2.3 tt0 -106.69 145.33 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.91 127.84 11.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.474 HD13 HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -91.56 106.0 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.682 HG22 ' H ' ' A' ' 67' ' ' ALA . 4.5 mm -94.8 175.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.682 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -36.17 92.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 41.48 51.68 4.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD2' ' O ' ' A' ' 67' ' ' ALA . 12.4 m-85 -160.65 120.66 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 0.745 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.474 HD22 HD13 ' A' ' 65' ' ' LEU . 3.4 mm? -75.17 122.5 23.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.607 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.6 m-85 -127.04 163.44 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.764 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.3 m -140.37 144.49 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.998 ' HB3' HG22 ' A' ' 62' ' ' THR . . . -113.85 115.43 27.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.556 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 24.2 t70 -97.59 102.8 14.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.683 HD22 ' CH2' ' A' ' 32' ' ' TRP . 10.3 mt -71.6 -29.2 64.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.91 -50.86 25.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 78' ' ' MET . 13.7 m-80 -101.83 -3.08 28.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.234 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 65.24 37.57 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.514 HG11 ' NH1' ' A' ' 89' ' ' ARG . 6.2 m -141.84 145.45 24.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 0.3 OUTLIER -114.39 147.79 38.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.09 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.764 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 1.6 p90 -145.05 157.95 43.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.463 ' CG ' ' CE1' ' A' ' 71' ' ' TYR . 1.2 mtm180 -63.83 136.13 57.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.425 ' NH1' ' OE1' ' A' ' 63' ' ' GLU . 2.7 ttt180 -50.16 -51.75 41.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -91.04 -54.15 4.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -73.61 57.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -41.96 -28.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.583 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 85' ' ' GLU . . . -57.81 -49.21 76.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -69.48 111.52 5.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.514 ' NH1' HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -146.49 163.92 34.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.433 ' CD ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -157.47 154.85 29.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.365 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HA ' HG12 ' A' ' 79' ' ' VAL . 18.8 mttt -79.37 151.97 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 12.6 pt -134.76 148.27 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -142.54 165.39 27.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -119.39 109.34 15.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -101.3 175.06 5.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.62 ' O ' HD13 ' A' ' 97' ' ' ILE . 20.0 mm -103.53 148.56 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.764 HG13 ' HB2' ' A' ' 31' ' ' ALA . 11.7 mm -131.05 173.98 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.614 ' H ' HG22 ' A' ' 97' ' ' ILE . 9.7 t70 72.28 111.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.513 ' C ' HD12 ' A' ' 99' ' ' ILE . 2.7 pp -39.9 157.03 0.15 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 113.7 3.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -91.13 -56.48 3.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -41.68 -31.68 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 104' ' ' VAL . . . -67.55 -65.16 2.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 103' ' ' GLY . 7.9 p 37.99 58.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 104' ' ' VAL . 17.9 t -38.25 101.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -42.84 102.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.425 1.078 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 126.28 9.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.2 m 70.15 160.21 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 t -158.97 144.04 16.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 p -161.4 -59.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -92.7 153.85 18.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.83 -179.34 37.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m 61.92 148.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.737 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 t -173.2 171.96 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.04 162.24 23.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.115 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.58 93.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.41 HD23 ' HD3' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -174.24 137.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -168.14 -63.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HD3' HD23 ' A' ' 9' ' ' LEU . 1.3 mppt? 46.63 73.07 1.06 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 136.79 20.86 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.465 1.771 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.425 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.3 t -173.97 -171.52 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER 171.18 139.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 pp -179.96 -172.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -151.97 176.4 2.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.3 Cg_endo -75.01 -13.5 21.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -87.5 -49.04 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -26.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.74 -69.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -37.77 76.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.11 -38.43 38.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.46 -31.6 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -59.81 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -58.35 -16.66 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.508 ' C ' ' CG2' ' A' ' 96' ' ' ILE . . . -58.77 -44.49 95.82 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -44.03 -26.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 26' ' ' GLY . . . -37.69 -62.79 0.93 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.11 -170.82 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.349 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 8.3 p90 -137.2 165.64 25.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.472 ' HB1' ' CD ' ' A' ' 42' ' ' GLN . . . -149.05 151.48 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.447 ' CB ' HD12 ' A' ' 51' ' ' LEU . 36.6 m95 -90.72 140.89 29.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 10.5 m-85 -125.57 153.2 44.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CD2' ' O ' ' A' ' 35' ' ' GLU . 9.6 p90 -135.05 150.46 50.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.563 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 30.6 tt0 -55.37 142.56 31.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -144.69 -143.53 4.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -78.54 -67.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.27 -52.75 64.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.05 -79.2 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -126.76 147.26 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -138.97 152.88 48.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.049 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.583 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -91.95 147.31 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -68.18 -66.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -176.65 -68.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 177.9 -44.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -76.55 -56.57 4.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 m -42.81 -40.36 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' LEU . 36.1 p -75.96 -44.75 38.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -45.15 -26.16 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -85.82 -39.59 16.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.497 HD23 ' CG2' ' A' ' 62' ' ' THR . 81.7 mt -53.12 -51.14 62.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -60.95 -58.77 7.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.78 -52.18 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.451 ' CA ' ' HB2' ' A' ' 59' ' ' LYS . . . -65.32 -59.2 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -44.78 -50.1 10.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.419 ' C ' ' N ' ' A' ' 58' ' ' GLY . 28.0 t -67.75 -62.03 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -41.02 -29.64 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 117.09 -10.74 15.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.746 ' O ' HD23 ' A' ' 75' ' ' LEU . 11.3 mttm -50.35 100.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -46.88 -30.65 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.816 ' HA ' HD22 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -147.73 168.82 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.497 ' CG2' HD23 ' A' ' 51' ' ' LEU . 10.4 t -150.13 128.49 12.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -81.58 158.46 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.537 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -156.84 157.63 35.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.6 tp -115.76 113.62 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 1.031 HD12 ' CD2' ' A' ' 71' ' ' TYR . 3.8 mt -104.26 -179.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.753 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -37.82 93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 40.8 47.58 4.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.406 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 11.5 m-85 -158.05 111.44 2.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.544 HD13 ' HD2' ' A' ' 83' ' ' ARG . 4.3 mt -75.87 121.96 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 1.031 ' CD2' HD12 ' A' ' 66' ' ' ILE . 18.2 m-85 -120.91 161.4 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.511 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 59.8 t -131.64 112.28 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -92.33 107.59 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.449 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 53.8 t0 -92.23 123.93 35.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.816 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -89.55 -32.64 17.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HG3' ' CG ' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -45.27 -48.41 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.334 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -103.79 -7.22 20.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.9 tpt 66.46 41.75 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.476 HG12 ' CG ' ' A' ' 91' ' ' LYS . 5.2 m -139.58 144.74 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 2.0 pt20 -112.45 126.9 55.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.511 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 5.4 p90 -127.34 145.24 50.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -56.7 137.35 54.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.544 ' HD2' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -51.62 -68.23 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -68.72 -50.46 50.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -91.7 80.86 5.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -26.27 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.55 -56.28 22.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -68.39 112.41 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -153.22 164.53 37.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.22 144.52 23.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.24 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.476 ' CG ' HG12 ' A' ' 79' ' ' VAL . 2.2 ttmt -68.51 151.43 46.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 25.9 pt -128.29 154.39 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -145.8 144.17 30.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -87.45 112.91 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.492 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . 30.5 t0 -105.26 168.91 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.508 ' CG2' ' C ' ' A' ' 26' ' ' GLY . 45.9 mt -101.79 138.6 25.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 97' ' ' ILE . 2.6 mm -126.7 155.44 37.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -61.06 -66.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.631 HG23 ' O ' ' A' ' 98' ' ' ASP . 0.8 OUTLIER -161.52 162.3 21.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.99 37.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.441 1.759 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.98 -54.82 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.87 -54.53 4.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -38.07 -62.64 1.02 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 104' ' ' VAL . 10.7 p -41.0 115.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.03 173.64 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -115.64 111.27 2.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 167.3 27.37 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.2 t -164.67 164.88 21.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.63 164.99 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.032 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.38 -55.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m 61.39 142.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.94 87.73 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.43 163.56 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 0.803 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.52 162.13 9.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.041 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.84 -158.66 9.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.503 ' O ' ' CD2' ' A' ' 8' ' ' PHE . 38.2 p90 -161.28 117.69 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.64 131.82 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.63 120.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.233 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 46' ' ' ARG . 2.8 mttm -157.59 112.25 1.84 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 160.28 40.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -173.61 -171.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.427 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.38 160.34 14.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.69 HD13 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.48 -171.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.417 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -135.42 164.91 40.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.954 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 16' ' ' SER . 18.4 Cg_endo -74.99 -8.85 20.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -91.09 -23.6 20.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -22.02 62.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.09 -32.57 22.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -76.5 -8.0 56.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.541 ' CB ' HD13 ' A' ' 97' ' ' ILE . . . -40.59 -29.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 21' ' ' LYS . . . -36.61 -68.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.52 -49.05 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -56.84 -16.67 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.506 ' O ' HG22 ' A' ' 96' ' ' ILE . . . -41.49 -27.9 0.32 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 25' ' ' ARG . 5.2 m-80 -52.98 -19.37 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.18 -78.92 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -136.54 -163.18 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.282 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.572 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 9.1 p90 -124.05 153.23 41.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' CB ' HG13 ' A' ' 97' ' ' ILE . . . -131.12 164.5 25.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.652 ' CH2' HD22 ' A' ' 75' ' ' LEU . 40.0 m95 -106.21 141.51 37.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 42' ' ' GLN . 7.6 m-85 -124.28 149.33 46.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.598 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 7.8 p90 -136.38 133.67 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.5 tp10 -32.79 116.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.77 -161.85 26.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.38 -35.77 34.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -88.14 -48.46 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.09 -84.48 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -119.4 121.04 38.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.598 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -95.33 127.66 41.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.678 ' NE2' HD11 ' A' ' 97' ' ' ILE . 4.3 tt0 -90.91 128.96 36.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -60.75 -178.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -74.9 -69.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 178.61 -39.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -75.66 -65.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' ARG . 18.8 m -37.13 -42.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.436 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' LEU . 87.0 p -70.96 -48.35 53.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . 2.0 mmm180 -48.55 -23.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -85.94 -33.99 21.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.548 HD12 ' CB ' ' A' ' 32' ' ' TRP . 17.9 mt -55.56 -48.79 74.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 2.3 tm-20 -71.23 -47.38 57.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -42.5 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 59' ' ' LYS . . . -76.27 -56.31 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.513 ' HB2' HD13 ' A' ' 75' ' ' LEU . 7.1 t80 -48.55 -46.4 38.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.9 t -65.1 -63.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -40.11 -34.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.17 -10.26 6.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 24.8 mttp -59.61 119.77 8.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.42 ' HB2' ' CG ' ' A' ' 76' ' ' GLU . 7.5 pttt -85.7 -39.28 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 61' ' ' ASN . 2.0 p-10 -113.81 110.03 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 73' ' ' ALA . 8.8 t -111.04 118.18 35.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.48 146.65 30.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.731 ' O ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -138.67 160.23 40.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 tp -116.29 103.98 11.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.581 HG22 ' N ' ' A' ' 67' ' ' ALA . 22.5 mm -87.37 171.61 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.581 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -43.74 92.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 52.97 45.35 61.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.429 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 21.6 m-85 -163.03 100.19 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 64' ' ' MET . 23.9 tp -72.16 116.22 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.522 ' CE1' ' HG3' ' A' ' 82' ' ' ARG . 18.3 m-85 -112.81 170.37 8.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.53 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 90.1 t -131.37 112.4 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.622 ' HB2' ' SD ' ' A' ' 64' ' ' MET . . . -88.54 114.08 24.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -99.34 102.04 13.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.652 HD22 ' CH2' ' A' ' 32' ' ' TRP . 3.6 mt -71.52 -27.02 62.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -49.69 -52.41 31.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 78' ' ' MET . 35.5 m-80 -102.34 -4.26 25.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 65.69 46.44 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.54 137.74 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.461 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -108.11 128.07 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.53 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 8.7 p90 -127.09 143.39 51.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.522 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -47.42 152.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.573 ' HG3' HD23 ' A' ' 70' ' ' LEU . 3.0 mmm180 -46.04 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' HIS . 79.6 m-20 -84.49 -49.25 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.72 71.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' ASN . 37.0 t-80 -55.31 -41.01 71.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.558 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.62 -54.49 6.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.06 112.43 5.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -159.08 165.62 33.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -149.53 154.33 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -73.92 145.95 44.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.461 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 7.7 pt -122.84 141.96 41.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.63 165.94 25.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -107.92 114.52 28.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.56 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . 18.2 t70 -110.7 175.53 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 26' ' ' GLY . 30.6 mm -103.14 136.77 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.678 HD11 ' NE2' ' A' ' 42' ' ' GLN . 2.3 mm -131.3 163.86 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.488 ' N ' ' CG2' ' A' ' 97' ' ' ILE . 18.4 t0 -70.86 -90.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.704 HG23 ' HD2' ' A' ' 100' ' ' PRO . 33.3 mt 66.33 141.66 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.704 ' HD2' HG23 ' A' ' 99' ' ' ILE . 18.3 Cg_endo -75.03 104.61 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -96.47 -52.73 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -47.56 69.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -50.24 -67.38 1.88 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 104' ' ' VAL . 8.9 p -70.24 116.76 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 0.74 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.45 156.22 41.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.28 -154.4 20.75 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 129.14 12.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 62.3 m -139.11 161.27 37.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.5 t -107.19 -60.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 p -177.83 129.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.66 169.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.67 164.86 30.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.55 165.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -165.41 93.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.93 170.4 25.49 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.479 ' O ' ' CD2' ' A' ' 8' ' ' PHE . 17.3 p90 -167.51 94.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.597 0.822 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.05 61.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.38 117.27 19.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -113.79 138.96 22.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.72 4.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 t -156.93 -178.0 7.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -174.09 176.73 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.96 173.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.92 165.81 13.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -17.01 19.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.03 -34.45 57.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -28.17 66.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.619 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -56.6 -70.17 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' SER . 4.9 mtmt -51.79 -54.65 26.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.72 -41.67 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -44.29 -45.95 8.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' LYS . 1.9 t -44.27 -34.34 1.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -39.96 -34.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -47.99 -21.82 1.84 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -51.15 -26.75 7.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.51 ' HA2' ' CB ' ' A' ' 98' ' ' ASP . . . 115.35 113.71 2.91 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 1.9 mt-10 166.11 160.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 0.772 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 96' ' ' ILE . 26.9 p90 -54.15 158.59 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.63 133.83 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.534 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 49.9 m95 -90.54 139.68 30.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -127.22 150.91 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 9.9 p90 -134.28 150.73 51.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -50.14 109.67 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.89 -164.69 20.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -63.52 -44.05 95.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.6 -66.87 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.4 ' HA ' ' O ' ' A' ' 34' ' ' TYR . 40.1 m95 -137.56 138.54 39.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -129.89 167.97 17.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.39 154.8 19.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.417 ' OH ' HG21 ' A' ' 92' ' ' ILE . 88.1 m-85 -77.12 -65.35 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -177.97 -81.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -172.73 -39.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -78.56 -57.89 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.8 m -42.95 -35.76 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' LEU . 75.3 p -78.6 -42.87 27.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -26.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -85.25 -40.8 16.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.546 HD23 ' CG2' ' A' ' 62' ' ' THR . 49.5 mt -55.33 -58.14 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.58 -44.38 69.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -45.49 93.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.441 ' CB ' ' HB ' ' A' ' 62' ' ' THR . . . -67.75 -61.92 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -43.06 -45.33 5.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.455 ' C ' ' N ' ' A' ' 58' ' ' GLY . 1.5 t -69.56 -63.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -40.15 -29.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 116.36 -8.11 18.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.558 ' O ' HD23 ' A' ' 75' ' ' LEU . 30.3 mttm -54.09 104.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -51.22 -27.13 8.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.857 ' HA ' HD22 ' A' ' 75' ' ' LEU . 4.9 p30 -157.3 149.76 23.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.546 ' CG2' HD23 ' A' ' 51' ' ' LEU . 5.8 t -122.35 142.59 50.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.25 123.29 39.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.635 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -117.86 157.02 27.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.579 HD13 HD22 ' A' ' 70' ' ' LEU . 2.9 tp -121.8 105.84 10.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.561 HG13 ' CD2' ' A' ' 71' ' ' TYR . 12.0 mm -87.52 172.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.552 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -41.21 92.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 50.77 49.06 42.51 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.438 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 7.2 m-85 -157.55 107.07 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 111.038 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.579 HD22 HD13 ' A' ' 65' ' ' LEU . 4.6 mm? -70.07 115.01 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 82' ' ' ARG . 9.7 m-85 -121.1 158.7 27.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.543 ' CG1' ' CE1' ' A' ' 81' ' ' TYR . 63.0 t -136.94 120.38 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.635 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -102.08 109.11 20.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.478 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 9.8 t0 -92.45 127.42 37.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.857 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -93.99 -38.35 11.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.43 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 0.9 OUTLIER -48.31 -41.08 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -102.06 -14.19 17.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.452 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 2.1 tpt 67.36 47.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.452 ' CG1' ' C ' ' A' ' 78' ' ' MET . 1.2 m -152.54 147.34 14.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 6.2 pt20 -114.79 133.95 55.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.543 ' CE1' ' CG1' ' A' ' 72' ' ' VAL . 2.9 p90 -130.48 158.84 38.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -77.36 138.58 39.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.48 ' CG ' HG23 ' A' ' 72' ' ' VAL . 3.6 mtp180 -56.2 -73.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.27 -49.61 69.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -97.12 75.58 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -55.68 -18.91 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.615 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.89 -54.99 21.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -60.33 111.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 110.357 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -148.17 157.29 43.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -147.19 149.02 32.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -74.48 144.51 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.417 HG21 ' OH ' ' A' ' 43' ' ' TYR . 36.8 pt -129.56 161.11 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.01 135.32 13.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.448 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 8.8 ttp180 -94.72 111.83 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -109.05 -177.18 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.447 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 8.8 mt -124.32 136.68 59.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 98' ' ' ASP . 3.0 mm -103.52 146.84 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.51 ' CB ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER 33.37 62.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.483 ' O ' HD12 ' A' ' 99' ' ' ILE . 2.8 pp -37.71 146.71 0.26 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 149.97 37.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.547 1.814 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.08 -13.0 31.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -82.13 -27.08 32.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.02 -55.63 25.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.5 t 61.97 144.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.2 t -67.65 157.71 33.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.15 110.87 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.27 176.68 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 73.5 m 58.46 159.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -95.91 113.71 25.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.06 149.24 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.08 87.97 0.19 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -168.9 106.58 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m 62.91 165.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.2 -67.21 2.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -114.72 110.05 19.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.53 65.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.64 101.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 5.3 tttp 70.2 143.99 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 11' ' ' LYS . 18.2 Cg_endo -75.01 -168.15 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.56 1.821 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -40.94 151.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -87.76 2.48 51.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mt -139.11 -178.94 5.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.17 164.99 13.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.85 21.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -81.3 -34.39 31.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.76 -38.48 78.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.935 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -51.36 -23.7 3.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 23' ' ' ALA . 11.1 mmmt -66.19 -46.07 78.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.73 -28.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -55.94 -53.86 51.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -50.76 72.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -13.83 33.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.591 ' O ' HG22 ' A' ' 96' ' ' ILE . . . -39.96 -40.08 1.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -42.03 -27.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 26' ' ' GLY . . . -41.05 -72.19 0.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -148.92 -170.32 3.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.795 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.474 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 23.2 p90 -119.83 140.64 50.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.93 -179.98 3.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.793 ' CH2' HD22 ' A' ' 75' ' ' LEU . 59.3 m95 -124.19 150.69 44.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' ' 95' ' ' ASP . 20.5 m-85 -143.46 157.4 44.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.579 ' CD2' ' O ' ' A' ' 35' ' ' GLU . 9.2 p90 -127.39 153.9 45.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.579 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 42.4 tt0 -56.63 137.9 53.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.72 -147.33 5.22 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.06 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -58.04 -51.76 68.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.87 -94.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.458 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 66.7 m95 -119.62 128.95 54.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -112.54 155.08 24.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.033 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.541 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.6 tt0 -90.25 145.83 24.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.448 ' CE1' ' HB3' ' A' ' 34' ' ' TYR . 65.3 m-85 -66.79 -70.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.9 -71.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 177.3 -40.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.9 mmt-85 -75.8 -52.31 10.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 m -45.11 -43.58 9.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' LEU . 26.3 p -71.79 -47.73 51.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HA ' ' CG ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -43.36 -28.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -90.12 -35.94 15.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.744 HD23 ' CG2' ' A' ' 62' ' ' THR . 56.4 mt -70.95 -37.87 72.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.416 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -68.71 -38.38 80.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.05 -52.07 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' PHE . . . -53.04 -69.1 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ALA . 28.5 t80 -37.35 -49.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -65.83 -64.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' SER . 6.7 mtmt -39.9 -38.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.75 -16.77 5.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -54.7 138.01 42.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -85.23 -56.25 3.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -109.68 164.49 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.744 ' CG2' HD23 ' A' ' 51' ' ' LEU . 9.0 t -155.15 122.33 5.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.78 128.3 34.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.623 ' HE1' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -127.12 117.61 22.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 tp -87.8 100.96 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.968 HD12 ' CD2' ' A' ' 71' ' ' TYR . 9.5 mt -82.38 177.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.721 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -45.52 91.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 54.39 40.61 69.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.25 94.96 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.035 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -69.96 117.25 11.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.968 ' CD2' HD12 ' A' ' 66' ' ' ILE . 12.4 m-85 -119.11 160.83 21.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.579 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 49.9 t -136.97 130.11 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.674 ' HB3' HG22 ' A' ' 62' ' ' THR . . . -105.74 141.0 37.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -130.64 103.51 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.793 HD22 ' CH2' ' A' ' 32' ' ' TRP . 11.6 mt -73.5 -38.58 65.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.08 -46.32 4.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -102.05 -13.39 17.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.405 ' C ' HG12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER 69.6 41.11 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.517 HG12 ' HG2' ' A' ' 91' ' ' LYS . 5.8 m -136.4 156.96 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 4.0 mt-30 -124.6 126.15 45.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.579 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 19.7 p90 -131.24 150.89 51.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 1.0 OUTLIER -59.8 149.18 31.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.451 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -59.73 -70.1 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -64.61 -56.93 10.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 3.0 mt-10 -87.76 100.97 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -75.7 -30.98 59.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.554 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.98 -47.59 39.97 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.98 109.6 7.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.723 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -157.33 170.78 21.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -159.32 147.2 17.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.517 ' HG2' HG12 ' A' ' 79' ' ' VAL . 12.0 mttt -68.43 144.28 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.405 HG12 ' C ' ' A' ' 78' ' ' MET . 12.3 pt -118.08 164.63 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.458 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 6.2 pttt -151.48 165.46 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -108.5 121.98 46.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.571 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . 5.8 t70 -103.64 -179.96 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.789 ' O ' HD13 ' A' ' 97' ' ' ILE . 13.0 mm -119.58 123.69 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.789 HD13 ' O ' ' A' ' 96' ' ' ILE . 7.5 mm -143.35 -127.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.575 ' H ' HG22 ' A' ' 97' ' ' ILE . 12.2 p-10 -179.27 95.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.729 HG23 ' HD2' ' A' ' 100' ' ' PRO . 4.9 mp -113.89 142.37 27.71 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.729 ' HD2' HG23 ' A' ' 99' ' ' ILE . 18.4 Cg_endo -75.0 124.63 8.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 102' ' ' LYS . 14.1 ttmt -95.32 -65.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -40.32 -61.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.76 -45.26 2.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.4 t -66.51 -65.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.246 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.2 t -154.03 143.27 21.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.93 131.15 10.32 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 109.91 3.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.1 p -84.26 95.49 8.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.1 m -75.58 159.97 30.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 110.959 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -169.42 139.39 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -169.46 164.81 10.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.24 164.93 32.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -160.85 145.28 13.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.756 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.44 166.39 16.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.24 122.72 1.77 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -158.3 173.29 16.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tp -111.9 -65.99 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.5 t0 62.0 132.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 2.4 ptpt -107.11 145.99 32.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 18.3 Cg_endo -74.97 138.31 22.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 14' ' ' LEU . 55.4 m -137.41 167.09 22.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' N ' HG22 ' A' ' 13' ' ' THR . 0.4 OUTLIER -60.03 157.03 13.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pp -44.61 165.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -130.97 178.91 1.51 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.4 Cg_endo -74.97 -13.57 21.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -80.77 -42.13 22.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.484 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -50.76 -33.21 22.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -67.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -18.99 62.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -68.89 -27.86 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' ARG . . . -68.05 -44.67 75.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 t -41.41 -28.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.9 ptt180 -40.2 -31.67 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' OD1' ' A' ' 98' ' ' ASP . . . -50.45 -20.93 4.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -57.79 -16.77 12.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.496 ' HA2' ' CB ' ' A' ' 98' ' ' ASP . . . 158.29 101.74 0.18 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -169.94 -155.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 33.7 p90 -110.01 168.84 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.99 137.46 7.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.73 ' CH2' HD22 ' A' ' 75' ' ' LEU . 33.8 m95 -94.32 163.2 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.015 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.452 ' HB2' ' CG ' ' A' ' 93' ' ' LYS . 41.1 m-85 -144.32 161.89 37.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 41' ' ' TRP . 17.4 p90 -137.44 146.67 44.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.06 108.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.67 -179.7 18.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.16 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.42 -39.97 64.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.3 -69.04 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -136.2 111.73 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 14.0 m95 -97.08 147.2 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.007 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.7 tt0 -88.38 163.03 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CE2' HD11 ' A' ' 51' ' ' LEU . 42.8 m-85 -87.43 -171.37 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -78.23 -65.85 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 177.33 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -67.0 -50.09 63.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.491 HG21 ' CD1' ' A' ' 43' ' ' TYR . 1.9 m -43.34 -54.53 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' LEU . 60.9 p -61.16 -48.5 81.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.57 -26.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -91.22 -35.36 14.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.609 HD23 HG21 ' A' ' 62' ' ' THR . 95.9 mt -59.41 -50.6 73.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.543 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 15.1 tt0 -58.47 -60.19 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.82 -54.3 3.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.33 -64.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' HA ' HD13 ' A' ' 75' ' ' LEU . 62.4 t80 -42.58 -44.03 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.91 -66.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -40.66 -38.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.45 -9.16 13.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -50.95 134.84 25.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -77.44 -53.22 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -113.25 145.3 41.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 1.004 HG22 ' HB3' ' A' ' 73' ' ' ALA . 12.2 t -127.87 163.72 23.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -110.4 149.15 30.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . 1.066 ' HE1' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -155.16 121.63 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.62 HD13 HD22 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -85.49 102.45 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.695 HG22 ' H ' ' A' ' 67' ' ' ALA . 4.4 mm -90.16 176.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.695 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -37.43 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 43.51 50.99 6.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.482 ' CE1' ' NH2' ' A' ' 82' ' ' ARG . 13.6 m-85 -161.44 115.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.871 HD12 ' HG3' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -74.28 115.63 14.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.613 ' CD2' HG13 ' A' ' 66' ' ' ILE . 14.7 m-85 -119.35 166.18 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.5 m -139.06 141.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 1.066 ' HB2' ' HE1' ' A' ' 64' ' ' MET . . . -109.4 114.08 27.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.513 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.6 t0 -96.15 102.54 14.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.73 HD22 ' CH2' ' A' ' 32' ' ' TRP . 4.3 mt -73.84 -19.97 60.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -53.99 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -100.85 -3.96 28.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 tpt 68.74 44.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 m -149.33 144.97 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.442 ' CB ' ' HA ' ' A' ' 73' ' ' ALA . 10.5 pt20 -113.75 145.07 41.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 4.2 p90 -144.3 160.65 40.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.482 ' NH2' ' CE1' ' A' ' 69' ' ' PHE . 9.6 mtt180 -61.19 147.69 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.871 ' HG3' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -48.66 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' HIS . 11.3 t30 -74.29 -52.67 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -63.25 74.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 84' ' ' ASN . 72.0 m-70 -56.95 -17.37 9.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.64 -65.17 2.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 4.4 mtt85 -52.6 109.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.493 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -151.58 158.66 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -156.73 153.19 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.246 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -71.93 152.26 42.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.494 HG22 ' OH ' ' A' ' 43' ' ' TYR . 3.4 pt -132.56 155.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 8.5 pttt -147.06 162.08 39.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.42 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 12.1 ttp180 -116.01 115.0 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -117.79 159.89 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.3 mm -104.59 134.92 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 97' ' ' ILE . 1.6 mm -107.52 138.84 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.496 ' CB ' ' HA2' ' A' ' 28' ' ' GLY . 1.0 OUTLIER 42.37 54.52 4.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.479 ' C ' ' O ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -34.1 118.44 0.51 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.28 7.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.12 -51.43 4.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -49.39 13.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -37.38 -64.28 0.73 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.12 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.6 p -48.92 128.01 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 t -179.44 117.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.971 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -105.62 153.27 17.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 175.24 11.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.778 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.8 p -100.83 -65.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.4 t 57.8 109.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.43 1.081 . . . . 0.0 111.014 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.39 170.39 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.69 140.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.3 162.63 21.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.536 1.147 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.42 -60.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.08 155.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.45 178.93 3.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -173.65 114.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 111.044 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.89 140.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -174.97 88.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -156.45 127.87 3.76 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.538 1.81 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.9 m -149.03 166.68 27.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.05 19.89 7.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 71.63 173.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -107.44 162.72 18.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -8.95 20.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -84.44 -31.7 24.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.57 -39.48 84.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.63 -29.41 4.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.43 -25.4 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.35 -40.86 37.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.09 -28.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ARG . 55.0 m -57.53 -61.96 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.172 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' C ' HG21 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -37.84 -42.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -40.64 -28.16 0.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.057 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 25' ' ' ARG . 13.4 t30 -48.5 -38.44 20.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.558 ' O ' ' CG ' ' A' ' 29' ' ' GLU . . . 135.43 102.32 0.69 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.6 ' O ' HG23 ' A' ' 96' ' ' ILE . 5.9 mt-10 -169.09 -110.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.525 ' CE2' ' OE2' ' A' ' 52' ' ' GLU . 50.8 p90 -159.57 160.9 34.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.35 125.93 26.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.559 ' CE3' HD13 ' A' ' 51' ' ' LEU . 53.6 m95 -89.83 127.61 36.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.046 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 32.1 m-85 -115.63 155.92 26.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 91' ' ' LYS . 24.2 p90 -137.28 149.6 47.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.74 127.73 31.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.35 -141.97 8.77 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 -48.36 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -94.01 -58.01 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -137.13 -144.65 4.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.147 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -90.05 144.35 25.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.433 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 7.9 m95 -121.36 156.93 31.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -97.4 156.11 16.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.551 ' CD1' HG21 ' A' ' 47' ' ' THR . 47.8 m-85 -84.24 -171.06 3.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -80.19 -66.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 176.87 -51.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.453 ' CG ' ' N ' ' A' ' 47' ' ' THR . 31.9 ptt180 -65.15 -49.54 69.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.551 HG21 ' CD1' ' A' ' 43' ' ' TYR . 1.5 m -44.94 -42.3 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.6 m -71.68 -44.79 63.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -25.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.28 -37.65 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.559 HD13 ' CE3' ' A' ' 32' ' ' TRP . 85.7 mt -54.41 -52.71 60.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.525 ' OE2' ' CE2' ' A' ' 30' ' ' TYR . 15.0 tt0 -65.13 -55.36 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -44.31 -49.81 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.05 -58.28 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.482 ' HA ' HD13 ' A' ' 75' ' ' LEU . 24.6 t80 -42.05 -52.23 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.26 -57.26 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.435 ' HE3' ' CE ' ' A' ' 59' ' ' LYS . 4.7 mmmt -47.72 -42.14 24.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.14 -7.68 16.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' CE ' ' HE3' ' A' ' 57' ' ' LYS . 57.5 mttm -48.09 139.68 7.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.46 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 4.4 mptt -76.44 -54.93 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -117.49 150.8 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.874 HG22 ' HB3' ' A' ' 73' ' ' ALA . 11.1 t -129.27 141.88 50.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -86.69 114.91 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.736 ' SD ' ' HB2' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -125.2 125.54 43.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.088 HD13 HD22 ' A' ' 70' ' ' LEU . 14.7 tp -99.99 112.48 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.8 HD12 ' CD2' ' A' ' 71' ' ' TYR . 1.8 mt -100.03 -169.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.79 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -36.5 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 37.24 44.48 1.11 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.557 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.5 m-85 -143.85 121.39 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.764 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.088 HD22 HD13 ' A' ' 65' ' ' LEU . 3.3 mm? -78.0 108.36 11.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.8 ' CD2' HD12 ' A' ' 66' ' ' ILE . 15.0 m-85 -119.09 165.37 14.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.8 m -140.02 132.02 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.874 ' HB3' HG22 ' A' ' 62' ' ' THR . . . -99.11 116.62 31.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 19.2 t0 -100.36 101.78 12.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 55' ' ' PHE . 8.2 mt -70.78 -37.12 73.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.46 ' HG3' ' CG ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -46.55 -43.58 17.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -102.01 -12.49 18.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.422 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 4.3 tpt 70.17 38.1 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' CG1' ' C ' ' A' ' 78' ' ' MET . 1.1 m -149.77 146.52 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -112.03 148.7 33.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 3.4 p90 -148.24 159.23 44.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -61.28 144.93 52.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.27 -73.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -75.28 -51.05 14.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 87' ' ' GLY . 1.5 mm-40 -74.65 60.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.55 -26.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 85' ' ' GLU . . . -49.6 -66.48 2.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 2.4 mmp_? -55.15 113.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 0.737 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.495 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 1.1 ptp180 -152.1 162.58 40.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.83 150.0 9.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 2.3 mtmm -66.95 155.71 37.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 5.5 pt -132.6 157.75 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.47 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -153.65 166.01 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -131.08 109.04 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -107.33 116.23 31.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.793 ' CG2' HG22 ' A' ' 99' ' ' ILE . 56.5 mt -53.76 142.55 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.575 ' O ' ' C ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -110.41 136.3 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.575 ' C ' ' O ' ' A' ' 97' ' ' ILE . 42.7 t0 26.16 66.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.793 HG22 ' CG2' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -38.39 136.71 0.85 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 99' ' ' ILE . 18.3 Cg_endo -75.02 173.76 13.95 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.552 1.817 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -98.18 -69.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -29.33 6.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -48.52 -54.04 14.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.445 1.091 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.7 t 63.67 129.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 0.73 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.4 m -41.75 -57.32 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 160.6 131.98 1.29 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.35 3.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.3 t -83.33 165.0 19.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.953 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.6 p -91.09 170.4 10.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -129.34 158.97 37.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 178.3 145.89 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.951 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.86 -136.54 3.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m 61.1 161.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.059 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.02 143.24 27.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.958 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.34 -119.6 2.92 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 47.09 36.66 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.86 -168.38 3.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.2 t70 176.72 58.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -117.99 88.08 30.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.35 36.48 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.517 1.798 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 14' ' ' LEU . 56.0 m -142.48 169.52 17.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' N ' HG22 ' A' ' 13' ' ' THR . 0.2 OUTLIER 175.18 126.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pp -49.97 174.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.25 170.42 7.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -9.32 20.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -90.99 -36.96 13.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.91 -28.75 58.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.8 -44.39 32.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -43.54 77.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.4 -30.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.58 -66.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.0 m -97.68 -60.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -41.49 -36.08 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.509 ' O ' ' CG2' ' A' ' 96' ' ' ILE . . . -45.03 -24.97 0.89 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -57.12 -16.41 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.66 -76.81 0.12 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.603 ' HB2' HG22 ' A' ' 97' ' ' ILE . 15.1 mm-40 -146.16 -148.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.501 ' CD1' ' NH1' ' A' ' 94' ' ' ARG . 23.5 p90 -141.29 154.01 45.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.804 ' HB2' HD12 ' A' ' 97' ' ' ILE . . . -127.28 173.54 9.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.679 ' HH2' HD22 ' A' ' 75' ' ' LEU . 34.0 m95 -117.78 145.1 44.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 107.996 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 31.2 m-85 -133.68 161.13 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 41' ' ' TRP . 31.9 p90 -130.35 156.37 44.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.34 109.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -113.97 -160.93 13.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.07 -64.82 0.77 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -54.84 -40.01 69.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.84 -70.72 0.2 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -130.19 126.41 37.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.426 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 6.5 m95 -116.45 150.38 37.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.559 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.1 tt0 -89.44 161.02 16.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.46 ' OH ' HG22 ' A' ' 92' ' ' ILE . 48.1 m-85 -89.45 -175.98 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.8 -74.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -176.54 -41.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -70.01 -48.8 56.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -42.63 -54.8 3.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.7 p -60.1 -40.72 90.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -29.14 35.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -89.6 -25.96 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.21 -57.38 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.89 -50.81 65.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -51.63 -56.79 11.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.21 -63.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.685 ' HA ' HD13 ' A' ' 75' ' ' LEU . 26.5 t80 -39.0 -45.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 t -65.79 -56.22 13.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -52.15 -41.05 62.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.26 -9.41 17.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.823 ' O ' HD12 ' A' ' 75' ' ' LEU . 22.3 mttm -43.31 123.93 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.94 -55.05 21.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -114.26 141.59 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.844 HG22 ' HB3' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -123.04 153.51 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -110.74 146.99 35.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.19 120.68 3.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 tp -81.47 110.35 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.697 HG22 ' H ' ' A' ' 67' ' ' ALA . 3.7 mm -97.94 176.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.697 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -38.06 92.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 43.83 50.13 7.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 68' ' ' GLY . 11.6 m-85 -166.09 109.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.68 HD22 ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -73.07 120.02 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.605 ' CD2' HG13 ' A' ' 66' ' ' ILE . 18.8 m-85 -119.46 161.67 20.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.655 HG23 ' CE1' ' A' ' 81' ' ' TYR . 3.2 m -137.11 144.07 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.844 ' HB3' HG22 ' A' ' 62' ' ' THR . . . -111.82 124.05 51.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' MET . 0.7 OUTLIER -98.91 96.99 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 59' ' ' LYS . 21.4 mt -66.85 -29.66 69.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.1 -52.05 47.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -102.66 -4.51 25.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER 63.58 55.96 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.627 HG12 ' HG2' ' A' ' 91' ' ' LYS . 2.5 m -138.83 -173.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.488 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 9.9 mt-30 -152.64 131.67 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.655 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.6 p90 -141.66 156.23 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.463 ' CZ ' ' HG3' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -65.34 163.89 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.68 ' HG3' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -73.11 -75.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -66.86 -53.66 30.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 4.5 mm-40 -84.72 83.13 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -60.48 -19.3 56.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.575 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.44 -65.02 3.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 64.5 mmt-85 -56.8 111.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.5 OUTLIER -162.53 172.05 16.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.61 169.32 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.627 ' HG2' HG12 ' A' ' 79' ' ' VAL . 1.4 tttt -84.08 152.86 24.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.507 HG12 ' CA ' ' A' ' 79' ' ' VAL . 7.8 pt -130.8 153.05 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -141.73 161.48 37.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.501 ' NH1' ' CD1' ' A' ' 30' ' ' TYR . 7.0 ttp85 -104.76 116.05 31.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -107.68 176.38 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 34.0 mm -96.45 143.93 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.804 HD12 ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -125.15 161.11 29.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.19 61.58 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.649 HG23 ' HD2' ' A' ' 100' ' ' PRO . 14.2 mt -133.23 141.19 39.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 99' ' ' ILE . 18.5 Cg_endo -74.99 80.66 2.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.09 -39.83 9.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -70.95 -50.32 35.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -43.99 -67.45 1.06 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 104' ' ' VAL . 31.7 m -76.17 80.06 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.07 104.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -105.72 150.94 17.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.423 1.077 . . . . 0.0 111.059 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.49 9.84 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.0 t -151.15 145.09 25.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.7 -58.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -170.76 123.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -169.47 168.62 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.62 144.18 4.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p 178.94 78.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.81 170.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.43 151.24 18.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -102.96 152.42 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.9 mt -131.34 139.55 49.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -160.28 133.71 6.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.16 168.18 7.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.432 ' O ' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.99 61.89 5.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.437 1.756 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.718 HG23 ' N ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER 55.1 -170.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.718 ' N ' HG23 ' A' ' 13' ' ' THR . 0.0 OUTLIER -106.98 -140.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.2 pp 43.62 -169.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.504 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER 177.71 178.09 0.25 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.997 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.4 Cg_endo -74.98 -11.15 21.5 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -91.05 -15.07 30.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -18.75 56.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.33 -40.73 70.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' A' ' 23' ' ' ALA . 8.8 mptt -49.91 -24.48 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.75 -29.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' N ' ' C ' ' A' ' 21' ' ' LYS . . . -62.04 -55.0 33.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -67.54 -45.85 74.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 21' ' ' LYS . 24.7 mtt-85 -49.32 -23.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -38.75 -39.22 0.82 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -58.9 -58.62 7.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.788 ' HA3' HG22 ' A' ' 97' ' ' ILE . . . 174.89 -74.96 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 3.9 mm-40 73.52 173.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 30' ' ' TYR . 10.0 p90 -45.52 147.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.65 133.88 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.592 ' CH2' HD22 ' A' ' 75' ' ' LEU . 93.3 m95 -91.31 135.68 33.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.019 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.517 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 28.3 m-85 -132.05 132.71 43.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 21.6 p90 -113.26 145.83 40.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.22 133.92 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.32 -164.1 10.29 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -51.44 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -67.08 -48.21 68.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.67 -76.06 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.138 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.585 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 80.8 m95 -127.58 130.03 48.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -119.31 150.03 40.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 108.039 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.3 OUTLIER -91.79 133.86 35.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 51.5 m-85 -60.39 179.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -68.07 -75.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -176.65 -56.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ARG . 27.4 ttt180 -61.88 -57.13 12.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -41.12 -32.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.41 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 51' ' ' LEU . 58.6 m -78.26 -44.63 25.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.05 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' ARG . 93.3 mtt180 -43.26 -31.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -80.85 -40.06 25.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' SER . 19.6 mt -58.34 -66.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.04 -45.11 7.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -52.74 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.98 -64.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.407 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 30.5 t80 -39.39 -51.01 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -62.0 1.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -42.26 -44.86 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.24 -11.21 7.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -48.59 134.25 15.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -82.52 -51.56 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -113.66 142.62 45.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.604 ' OG1' ' HB3' ' A' ' 73' ' ' ALA . 5.1 p -121.63 159.49 26.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -115.79 151.03 35.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -159.71 120.87 3.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.95 HD13 HD12 ' A' ' 70' ' ' LEU . 1.8 tp -85.33 126.24 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.735 HG22 ' H ' ' A' ' 67' ' ' ALA . 2.4 mm -118.84 -178.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.735 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -37.99 92.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 40.84 46.82 3.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.504 ' CE1' ' NH1' ' A' ' 82' ' ' ARG . 8.5 m-85 -157.48 114.45 2.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.95 HD12 HD13 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -77.07 126.21 30.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CD2' HG13 ' A' ' 66' ' ' ILE . 23.8 m-85 -123.82 159.98 28.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.2 m -138.8 144.54 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.604 ' HB3' ' OG1' ' A' ' 62' ' ' THR . . . -116.82 110.78 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.468 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 22.1 t0 -92.88 104.39 16.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.592 HD22 ' CH2' ' A' ' 32' ' ' TRP . 11.2 mt -74.66 -21.23 59.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.47 -53.27 56.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 78' ' ' MET . 40.1 m-80 -100.69 -3.58 29.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.444 ' C ' ' CG1' ' A' ' 92' ' ' ILE . 0.0 OUTLIER 66.23 47.7 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.419 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.3 m -150.97 144.7 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.31 149.64 35.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 1.4 p90 -148.36 159.29 44.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.504 ' NH1' ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -69.77 134.09 48.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.865 ' HD3' HD23 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -56.47 -68.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.175 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -54.83 -57.61 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 19.8 mp0 -101.43 98.57 8.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -64.81 -16.89 63.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.61 -66.34 2.73 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.64 113.22 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 0.798 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.18 164.0 38.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -159.75 157.57 29.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 4.4 mttt -76.07 156.05 34.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.444 ' CG1' ' C ' ' A' ' 78' ' ' MET . 7.7 pt -134.81 144.25 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.585 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -143.05 142.25 31.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.407 ' NH1' ' CE2' ' A' ' 55' ' ' PHE . 14.1 ttp180 -107.22 105.43 15.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 30' ' ' TYR . 11.2 t0 -100.37 -172.43 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.7 mt -127.26 133.25 68.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.788 HG22 ' HA3' ' A' ' 28' ' ' GLY . 11.8 mm -105.02 148.95 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.2 t0 175.86 92.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.518 ' N ' HD13 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -56.07 113.91 6.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 59.98 5.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.03 -64.29 1.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -60.48 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -38.2 -68.23 0.45 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.7 p -123.02 150.62 27.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.83 83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.07 156.47 14.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 178.64 7.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.82 115.33 17.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.1 163.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.7 -64.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.6 161.7 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.58 -140.43 3.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.17 134.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 110.062 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.39 152.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.68 128.16 1.79 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 8' ' ' PHE . 8.8 p90 -176.78 103.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mt -159.33 115.95 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 178.26 138.63 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.39 67.04 0.44 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 165.73 30.7 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.575 ' O ' HD12 ' A' ' 14' ' ' LEU . 94.0 m -101.75 166.04 10.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 13' ' ' THR . 0.1 OUTLIER 175.61 107.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 pp -62.21 -167.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.446 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -144.81 175.06 2.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.162 . . . . 0.0 110.004 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.2 Cg_endo -75.0 -11.85 21.48 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.54 1.81 . . . . 0.0 111.038 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -86.41 -39.6 16.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.667 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -52.28 -36.67 53.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 110.268 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.69 -48.6 69.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -53.23 -34.76 58.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -53.34 -37.84 62.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.4 66.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.31 -34.29 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.014 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -50.27 -37.75 37.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' ' 97' ' ' ILE . . . -53.05 -18.82 6.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -55.26 -29.81 58.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.494 ' HA2' ' CB ' ' A' ' 98' ' ' ASP . . . 127.17 109.06 1.56 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.517 ' CG ' ' N ' ' A' ' 30' ' ' TYR . 18.1 tt0 171.19 160.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 0.796 . . . . 0.0 110.286 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.517 ' N ' ' CG ' ' A' ' 29' ' ' GLU . 18.7 p90 -60.12 146.13 44.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.81 144.83 25.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.625 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 40.6 m95 -101.79 150.61 22.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 107.948 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.453 ' OH ' HD11 ' A' ' 97' ' ' ILE . 41.0 m-85 -134.53 134.92 41.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 20.8 p90 -116.35 140.83 48.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.62 110.39 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.14 -169.3 21.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -61.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -58.25 -40.17 81.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.01 -70.97 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -131.27 127.62 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.449 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 4.3 m95 -113.49 145.02 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 107.992 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -86.81 162.53 17.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -90.44 -170.43 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.32 -69.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 175.69 -51.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -71.61 -54.52 10.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -41.17 -46.57 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.45 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.569 ' HA ' HD12 ' A' ' 51' ' ' LEU . 77.5 p -70.79 -44.14 67.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -48.12 -33.61 8.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -75.49 -31.66 60.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 48' ' ' SER . 62.4 mt -61.58 -44.93 96.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.59 -63.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -41.44 -45.39 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.45 -64.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -43.21 -48.05 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.58 -62.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -44.51 -33.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LYS . . . 120.73 -8.68 10.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.685 ' O ' HD23 ' A' ' 75' ' ' LEU . 8.9 mttp -51.92 94.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 0.805 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -42.21 -28.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.803 ' HA ' HD22 ' A' ' 75' ' ' LEU . 15.5 p30 -163.11 148.11 11.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.3 t -124.86 144.2 50.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.484 ' HG3' HG13 ' A' ' 72' ' ' VAL . 7.4 mp0 -94.77 126.6 40.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.674 ' O ' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -118.59 166.94 12.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.9 tp -124.83 107.2 10.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.569 HG22 ' N ' ' A' ' 67' ' ' ALA . 19.8 mm -87.29 170.9 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.569 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -42.77 92.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 52.83 47.93 58.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -164.56 99.91 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.899 HD13 ' HD2' ' A' ' 83' ' ' ARG . 0.9 OUTLIER -67.38 121.31 15.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CD2' HG13 ' A' ' 66' ' ' ILE . 9.9 m-85 -121.09 165.71 14.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.5 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 23.0 t -133.66 121.11 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.56 ' HB2' ' SD ' ' A' ' 64' ' ' MET . . . -101.56 120.93 41.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.489 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 42.8 t0 -104.71 125.55 50.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.803 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.3 OUTLIER -92.3 -33.88 14.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.9 mt-10 -51.33 -43.45 61.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 78' ' ' MET . 5.9 m120 -102.1 -8.95 20.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.408 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 62.69 49.13 3.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.469 ' N ' HG12 ' A' ' 92' ' ' ILE . 2.9 m -139.13 178.5 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 5.0 mt-30 -143.96 119.0 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.5 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 9.2 p90 -128.4 143.57 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -49.8 165.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.899 ' HD2' HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -83.63 -53.64 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.07 -44.74 16.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -102.81 78.19 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -55.19 -28.78 55.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.54 -54.11 11.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.102 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 14.1 mtp-105 -71.52 111.89 7.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.501 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -153.44 173.34 15.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.68 169.3 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -88.26 135.2 33.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.512 HD12 ' CE3' ' A' ' 32' ' ' TRP . 6.7 pt -124.37 147.71 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.5 137.21 28.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.414 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 25.6 ttp180 -95.83 111.25 23.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.65 145.9 47.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 13.7 mt -87.52 136.97 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.489 ' O ' ' C ' ' A' ' 98' ' ' ASP . 3.0 mm -103.15 144.87 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.494 ' CB ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER 33.51 55.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.652 ' N ' HD13 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -37.21 122.79 0.87 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -171.81 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -77.79 -34.27 52.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -11.53 59.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.34 -60.36 7.21 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.2 p -64.43 141.17 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.4 t -159.87 173.29 16.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.005 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -113.66 106.81 1.81 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 179.41 6.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.528 1.804 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.4 p -149.26 171.15 16.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.43 -59.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.41 1.069 . . . . 0.0 110.947 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 p -170.51 170.54 6.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.1 160.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.55 132.02 2.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.86 171.12 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 0.719 . . . . 0.0 110.018 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.83 169.99 20.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.68 -177.18 38.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -177.54 148.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.66 174.68 14.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -177.93 154.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -149.02 120.51 4.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -175.35 2.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.3 p -113.24 -174.33 2.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.37 3.22 25.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.37 176.82 7.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.17 169.53 6.98 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -12.92 21.57 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.07 -43.91 15.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 6.3 mt-10 -60.29 -38.1 82.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.554 ' C ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -65.72 -55.51 16.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -54.61 -39.46 67.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -44.39 -54.52 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.95 -41.81 16.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -52.11 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.563 ' O ' HG22 ' A' ' 96' ' ' ILE . 97.5 mtt180 -44.49 -27.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.95 -48.3 73.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -100.81 -4.91 27.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.07 -83.31 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.22 -172.07 3.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -125.63 152.09 45.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.566 ' HB3' HG13 ' A' ' 97' ' ' ILE . . . -131.73 150.38 52.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.555 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 58.7 m95 -94.0 136.02 34.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 42' ' ' GLN . 14.8 m-85 -124.39 154.3 40.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CB ' HG22 ' A' ' 92' ' ' ILE . 17.0 p90 -141.05 141.62 34.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 39' ' ' GLY . 0.7 OUTLIER -46.61 116.98 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.12 -157.23 10.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -64.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -56.04 -44.6 78.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . 174.92 -70.63 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -132.26 118.38 19.41 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -106.82 145.9 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 107.981 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.514 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -90.63 132.35 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.676 ' OH ' HG21 ' A' ' 92' ' ' ILE . 60.9 m-85 -50.47 178.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 33.4 m-20 -64.18 -74.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 7.0 tt0 165.99 -28.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 47' ' ' THR . 5.0 ptp180 -80.78 -31.71 35.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.496 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 1.5 m -69.75 -60.74 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -39.79 -42.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -40.31 -29.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 48' ' ' SER . 41.1 mm-40 -94.36 -37.53 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HB3' ' CD2' ' A' ' 32' ' ' TRP . 3.9 mp -52.88 -46.81 68.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 11.3 pt-20 -71.2 -52.7 17.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.432 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 2.7 m-20 -48.65 -56.61 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 59' ' ' LYS . . . -56.69 -66.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -38.26 -36.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.9 t -80.22 -61.27 2.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -45.45 -43.26 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.21 -16.98 4.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.662 ' O ' HD23 ' A' ' 75' ' ' LEU . 41.4 mttm -44.4 105.13 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.99 -23.58 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.798 ' HA ' HD22 ' A' ' 75' ' ' LEU . 20.0 p30 -164.51 150.0 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.9 t -128.37 148.02 50.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -90.2 166.84 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.641 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -164.8 114.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.002 HD13 HD12 ' A' ' 70' ' ' LEU . 8.4 tp -84.97 102.0 12.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.961 HD12 ' CD2' ' A' ' 71' ' ' TYR . 3.6 mt -90.01 -177.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.8 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -38.55 93.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 42.51 47.41 5.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.488 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.5 m-85 -155.46 105.69 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.002 HD12 HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -73.4 109.63 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.961 ' CD2' HD12 ' A' ' 66' ' ' ILE . 14.5 m-85 -109.89 159.47 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.528 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 47.0 t -136.78 116.13 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.641 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -99.9 121.14 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.537 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 43.6 t0 -101.88 133.81 46.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.798 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.3 OUTLIER -94.42 -36.46 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -43.72 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -101.7 -9.31 20.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.49 55.33 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.543 HG23 ' N ' ' A' ' 80' ' ' GLN . 1.0 OUTLIER -146.53 -170.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.543 ' N ' HG23 ' A' ' 79' ' ' VAL . 2.9 pt20 -156.59 122.18 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.528 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 11.6 p90 -123.6 157.61 33.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -72.9 128.59 35.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.481 ' HG2' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -47.09 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.67 -58.56 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -102.53 102.31 12.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -69.23 -25.98 64.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.595 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.16 -63.07 3.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.03 115.88 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.457 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 2.8 ptm180 -163.42 160.49 23.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.62 165.89 26.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -88.22 143.75 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.676 HG21 ' OH ' ' A' ' 43' ' ' TYR . 19.8 pt -120.66 161.94 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -154.07 141.31 19.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -91.25 114.35 26.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -107.52 173.82 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.999 ' O ' HD13 ' A' ' 97' ' ' ILE . 39.9 mt -104.33 129.51 56.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.999 HD13 ' O ' ' A' ' 96' ' ' ILE . 8.1 mm -136.54 -178.79 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.779 ' H ' HG22 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -92.26 -66.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 0.2 OUTLIER 60.57 145.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 99' ' ' ILE . 18.3 Cg_endo -75.0 76.54 3.37 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.541 1.811 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -54.48 23.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.18 -48.76 34.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.65 -53.81 5.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 104' ' ' VAL . 11.3 m -92.03 114.71 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.3 t -158.7 136.4 10.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.84 88.07 0.14 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.8 4.05 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.15 168.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 74.4 p -160.11 168.36 25.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.009 -0.419 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 p 178.07 122.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.947 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.83 169.13 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.4 149.02 14.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.39 169.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.978 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 t -176.65 162.36 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.26 139.65 4.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -172.67 135.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.28 125.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -152.6 168.73 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.09 148.71 17.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 163.66 34.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.554 1.818 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.8 m -148.46 160.33 43.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.614 ' N ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -144.12 167.4 22.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -46.97 164.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.409 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -101.7 172.9 3.98 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.4 Cg_endo -75.01 -11.53 21.45 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -89.03 -47.49 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.699 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -42.48 -49.11 5.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.92 -51.88 15.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -35.46 75.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -50.43 -38.63 44.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.59 -31.24 65.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.89 -25.02 67.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' HA ' ' CG ' ' A' ' 29' ' ' GLU . 2.2 mmt85 -93.44 -22.95 18.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.448 ' O ' ' OD1' ' A' ' 98' ' ' ASP . . . -70.91 -1.38 39.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -86.55 -4.12 59.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 0.803 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.563 ' CA ' ' OD2' ' A' ' 98' ' ' ASP . . . 107.39 108.28 3.26 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' O ' ' HB ' ' A' ' 97' ' ' ILE . 0.4 OUTLIER -173.24 152.03 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 0.811 . . . . 0.0 110.304 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 30' ' ' TYR . 1.9 p90 -60.35 166.48 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -166.8 149.12 6.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.587 ' CH2' HD22 ' A' ' 75' ' ' LEU . 48.5 m95 -102.18 149.27 24.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 107.994 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.565 ' OH ' HD11 ' A' ' 97' ' ' ILE . 31.6 m-85 -131.58 150.0 52.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 9.6 p90 -135.58 147.0 48.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.481 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -37.6 136.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.87 -171.07 13.95 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.83 -32.09 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -101.04 -47.13 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -155.13 -101.76 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -117.74 131.21 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.485 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 10.0 m95 -109.5 140.11 43.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -90.76 155.62 18.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.541 ' CE2' ' CD1' ' A' ' 51' ' ' LEU . 49.0 m-85 -78.89 -176.58 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -77.98 -66.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 177.36 -36.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -79.47 -53.89 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.5 m -47.14 -38.38 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.3 p -74.92 -42.45 57.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -24.05 17.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -90.56 -20.87 22.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.619 HD23 HG21 ' A' ' 62' ' ' THR . 77.1 mt -75.69 -38.6 58.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.58 -54.99 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -45.62 -49.54 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.25 -68.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -40.19 -45.0 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -66.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -41.37 -43.72 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.36 -11.41 5.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -59.64 111.93 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -63.31 -46.45 86.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.68 151.26 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.619 HG21 HD23 ' A' ' 51' ' ' LEU . 4.8 t -140.69 119.88 12.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -81.95 126.25 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.558 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -130.58 125.69 34.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.995 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.9 tp -87.61 115.2 24.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.693 HG22 ' H ' ' A' ' 67' ' ' ALA . 4.9 mm -97.77 176.46 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.693 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -40.84 93.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 46.98 47.32 19.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -160.87 101.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.629 HD13 ' HD2' ' A' ' 83' ' ' ARG . 0.7 OUTLIER -69.21 124.87 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.564 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.3 m-85 -124.81 163.53 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.405 ' CG2' ' HG3' ' A' ' 83' ' ' ARG . 98.7 t -138.62 115.07 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.558 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -90.87 115.41 27.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.476 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 7.8 t0 -99.79 107.96 20.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.587 HD22 ' CH2' ' A' ' 32' ' ' TRP . 15.7 mt -75.7 -28.1 58.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.36 -47.64 56.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.083 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.453 ' O ' HG13 ' A' ' 79' ' ' VAL . 21.4 m120 -101.61 -5.64 24.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 tpt 66.43 38.62 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.533 HG12 ' HG2' ' A' ' 91' ' ' LYS . 0.9 OUTLIER -145.54 147.53 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.72 137.89 51.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 3.3 p90 -133.23 150.7 51.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -59.88 135.51 57.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.629 ' HD2' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -52.16 -57.51 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -81.71 -49.81 10.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 2.7 tt0 -89.47 72.73 7.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -53.86 -34.5 59.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.586 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.78 -50.76 25.38 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -72.54 113.3 9.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.87 166.92 29.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.48 156.4 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.533 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -74.81 153.14 38.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.439 HD11 HD23 ' A' ' 75' ' ' LEU . 6.8 pt -132.63 152.99 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -155.28 135.15 12.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -93.37 121.85 35.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.01 175.16 9.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.74 HG21 ' HA ' ' A' ' 100' ' ' PRO . 1.1 mm -102.16 151.79 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.565 HD11 ' OH ' ' A' ' 33' ' ' TYR . 2.9 mm -116.47 137.36 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.563 ' OD2' ' CA ' ' A' ' 28' ' ' GLY . 7.5 t70 59.41 69.19 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 3.6 mm 66.86 130.3 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.74 ' HA ' HG21 ' A' ' 96' ' ' ILE . 18.3 Cg_endo -75.04 119.68 5.74 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.522 ' H ' HG21 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -98.25 -54.9 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 19.0 ptmt -90.92 -47.69 7.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -37.39 -63.43 0.81 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.3 t -83.69 101.18 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 t -157.6 148.44 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.43 140.34 20.39 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.56 1.163 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.43 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.45 1.763 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.72 159.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.8 m -131.11 136.64 48.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.93 166.11 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.81 165.29 18.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.74 -147.88 10.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.83 168.28 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.14 161.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.999 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.38 142.81 4.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.546 1.153 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -171.45 61.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.763 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.56 170.46 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 171.99 132.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -134.36 146.97 61.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 18.3 Cg_endo -75.02 179.45 6.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.558 1.82 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 14' ' ' LEU . 1.4 t -91.56 174.52 7.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' O ' HD23 ' A' ' 14' ' ' LEU . 1.4 tt 74.84 21.5 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 16' ' ' SER . 4.6 pp 39.68 -161.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.482 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -127.27 175.11 3.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.954 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.445 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.0 Cg_endo -75.02 -16.32 20.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -73.43 -31.55 63.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.343 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.71 -11.93 56.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.83 -50.68 7.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -70.53 -26.88 63.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.83 -28.09 14.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.33 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' LYS . 1.3 m -79.48 -32.19 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -68.0 -13.77 62.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.51 -15.62 18.18 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.407 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 18.6 p-10 -67.42 -10.05 47.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 177.9 90.87 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' ' HB ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -170.23 149.56 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.407 ' CE1' ' CB ' ' A' ' 52' ' ' GLU . 33.7 p90 -62.17 162.24 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.98 153.98 21.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.933 ' CH2' HD22 ' A' ' 75' ' ' LEU . 37.8 m95 -112.08 152.52 28.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.523 ' OH ' HD11 ' A' ' 97' ' ' ILE . 37.7 m-85 -133.43 155.13 50.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 41' ' ' TRP . 21.5 p90 -137.83 136.35 37.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -37.91 109.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.434 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -100.24 -158.82 28.16 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -82.24 -45.75 14.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 0.735 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -77.88 -41.19 37.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.73 -81.84 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -128.64 118.74 23.44 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.554 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 4.6 m95 -98.1 143.92 28.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.0 OUTLIER -94.08 121.89 36.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 90.6 m-85 -42.25 -61.93 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.8 t0 174.11 -78.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -178.78 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -81.27 -60.31 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.2 m -45.87 -38.03 6.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 p -77.27 -36.31 54.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -20.54 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -91.14 -34.31 15.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.424 HD23 HG21 ' A' ' 62' ' ' THR . 58.6 mt -60.77 -35.75 77.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' CB ' ' CE1' ' A' ' 30' ' ' TYR . 3.7 tp10 -71.93 -55.33 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -47.44 52.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.2 -70.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.689 ' HB2' HD13 ' A' ' 75' ' ' LEU . 13.8 t80 -45.85 -30.66 1.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.1 t -77.86 -63.35 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -44.56 -40.8 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.96 -13.62 3.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -66.63 111.31 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.622 ' O ' HD12 ' A' ' 75' ' ' LEU . 69.3 mmtt -76.68 -46.12 26.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.18 114.56 28.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.424 HG21 HD23 ' A' ' 51' ' ' LEU . 9.0 t -115.37 119.55 36.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 72' ' ' VAL . 2.1 mp0 -91.45 137.17 32.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.588 ' HE1' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -130.97 123.77 29.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.98 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 70' ' ' LEU . 8.4 tt -86.76 101.18 13.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.569 HG22 ' N ' ' A' ' 67' ' ' ALA . 39.8 mm -78.95 170.07 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.569 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -45.92 90.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 59.37 44.7 96.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.456 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -160.09 96.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.632 ' CD2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -67.55 107.53 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.614 ' CE1' ' CG ' ' A' ' 82' ' ' ARG . 9.2 m-85 -107.61 156.08 19.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 27.4 t -131.91 124.66 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.588 ' HB2' ' HE1' ' A' ' 64' ' ' MET . . . -107.36 111.07 23.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.9 116.47 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.933 HD22 ' CH2' ' A' ' 32' ' ' TRP . 2.8 mt -88.55 -32.11 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.486 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -57.05 -39.64 75.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -101.36 -2.91 29.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.46 42.19 24.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.853 HG22 ' HA ' ' A' ' 91' ' ' LYS . 2.7 t -142.16 167.52 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.557 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 9.3 pt20 -137.86 134.21 34.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.401 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 8.3 p90 -139.87 156.95 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.614 ' CG ' ' CE1' ' A' ' 71' ' ' TYR . 26.6 mtt180 -81.61 138.49 35.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -59.1 5.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.8 -51.67 60.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -95.58 70.12 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -43.52 -41.74 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.567 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.01 -58.16 11.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.596 1.185 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.81 110.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 3.6 ptm180 -159.08 174.31 15.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -169.08 156.24 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.853 ' HA ' HG22 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -69.33 153.89 42.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.432 HD12 ' CZ3' ' A' ' 32' ' ' TRP . 3.5 pt -138.47 147.68 25.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -147.68 135.55 21.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.488 ' NH1' ' CE1' ' A' ' 55' ' ' PHE . 31.9 ttp180 -93.48 122.82 36.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.71 169.2 15.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.5 mt -100.66 138.25 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.523 HD11 ' OH ' ' A' ' 33' ' ' TYR . 2.9 mm -107.74 149.02 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 39.7 t0 174.62 66.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.739 HG23 ' HD2' ' A' ' 100' ' ' PRO . 3.2 mt 63.97 142.58 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.739 ' HD2' HG23 ' A' ' 99' ' ' ILE . 18.4 Cg_endo -74.98 51.87 2.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.552 1.817 . . . . 0.0 111.059 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -98.12 -46.94 5.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -61.24 -29.38 69.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -36.99 -65.15 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.5 m -82.44 -34.98 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.82 -172.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -152.4 -94.89 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 141.91 27.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 69.8 p -160.44 167.32 27.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.01 138.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.62 129.09 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -101.99 81.21 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.24 107.36 0.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -174.99 171.52 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.9 m -153.05 158.86 42.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.563 ' C ' ' CD1' ' A' ' 8' ' ' PHE . . . -147.85 -148.28 4.71 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.563 ' CD1' ' C ' ' A' ' 7' ' ' GLY . 2.5 m-85 -160.23 61.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 176.94 118.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER 171.91 165.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -177.47 95.91 0.23 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' O ' ' HB ' ' A' ' 13' ' ' THR . 18.4 Cg_endo -75.02 163.48 35.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 14' ' ' LEU . 2.5 t -178.1 -55.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.488 ' N ' HG23 ' A' ' 13' ' ' THR . 0.1 OUTLIER -90.24 18.24 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 16' ' ' SER . 1.2 mt 71.91 -108.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.592 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER 85.55 -176.64 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.963 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.592 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.2 Cg_endo -75.01 -8.01 19.67 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -91.46 -18.06 24.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 15' ' ' LEU . 11.0 tm-20 -77.17 -26.56 53.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -60.34 -33.62 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -41.7 -29.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' LEU . . . -47.17 -62.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.4 -23.03 22.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 26' ' ' GLY . 0.9 OUTLIER -72.13 -8.26 53.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 27' ' ' ASN . 15.2 ptt180 -39.6 -29.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -38.21 -30.43 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -52.68 -61.84 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.98 71.78 0.84 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.484 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 23.2 mm-40 -108.2 88.88 2.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.603 ' CE2' ' HD2' ' A' ' 94' ' ' ARG . 0.1 OUTLIER -43.19 147.12 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.679 ' HB3' ' CG1' ' A' ' 97' ' ' ILE . . . -158.9 127.96 5.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.499 ' CE2' ' HB2' ' A' ' 94' ' ' ARG . 29.6 m95 -105.65 137.04 44.17 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.482 ' HB2' ' CG ' ' A' ' 93' ' ' LYS . 33.4 m-85 -115.95 159.42 21.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 28.8 p90 -137.85 154.88 49.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -44.13 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.535 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -98.28 163.4 21.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -47.48 66.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.1 -32.24 64.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.79 -67.75 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -135.15 131.93 37.42 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.535 ' CD1' ' HA3' ' A' ' 36' ' ' GLY . 9.2 m95 -121.45 136.34 54.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 107.989 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -75.28 149.98 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.514 ' OH ' HG22 ' A' ' 92' ' ' ILE . 33.2 m-85 -80.96 -175.32 5.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 3.2 t70 -73.0 -86.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' OE1' ' CE2' ' A' ' 8' ' ' PHE . 10.3 tt0 177.54 -33.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 49' ' ' ARG . 14.0 ptp180 -67.86 -38.41 83.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.47 ' O ' HD13 ' A' ' 51' ' ' LEU . 1.7 m -74.91 -64.88 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.681 ' HA ' HD22 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -39.98 -33.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -49.91 -30.16 9.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' CG ' HD12 ' A' ' 51' ' ' LEU . 6.1 pt-20 -94.63 -36.19 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 48' ' ' SER . 2.8 mp -48.05 -50.59 27.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 12.6 pt-20 -68.97 -52.76 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 5.9 m-20 -42.65 -59.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.49 ' HB1' ' HB2' ' A' ' 59' ' ' LYS . . . -60.09 -67.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.543 ' HB2' HD13 ' A' ' 75' ' ' LEU . 35.3 t80 -37.31 -52.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -66.22 -61.86 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -41.73 -36.45 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.95 -10.16 8.93 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.49 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 9.7 mttm -46.8 148.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -54.91 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -121.35 152.83 38.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -147.21 121.02 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 72' ' ' VAL . 6.5 pt-20 -94.63 135.55 35.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.517 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -126.95 152.68 46.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.686 HD13 HD22 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -103.23 101.75 11.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.603 HG22 ' H ' ' A' ' 67' ' ' ALA . 16.4 mm -87.15 173.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.603 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -39.08 92.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 46.48 49.93 14.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.433 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 1.5 m-85 -159.48 113.33 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.686 HD22 HD13 ' A' ' 65' ' ' LEU . 4.5 mm? -76.33 115.69 16.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.521 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.0 m-85 -116.35 152.75 33.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 90.9 t -129.78 112.88 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.517 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -99.22 111.43 23.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -99.2 119.41 37.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 55' ' ' PHE . 50.8 mt -82.93 -30.88 28.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -47.19 42.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 78' ' ' MET . 17.2 m120 -100.84 -9.12 21.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.431 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 65.28 47.07 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.416 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.5 m -150.94 149.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.436 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 5.3 pt20 -117.84 132.81 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.442 ' CE1' ' CG1' ' A' ' 72' ' ' VAL . 1.7 p90 -130.19 155.71 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -62.48 127.47 31.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.461 ' HG3' ' CG2' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -45.34 -67.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -63.85 -59.81 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -88.29 85.06 6.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -59.44 -24.11 63.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.575 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.61 -62.74 4.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 17.7 mtp180 -61.24 112.31 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.426 ' HA ' ' HA ' ' A' ' 81' ' ' TYR . 1.4 ptt-85 -147.71 152.92 38.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.2 mtm-85 -143.12 150.25 39.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.28 154.88 41.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.514 HG22 ' OH ' ' A' ' 43' ' ' TYR . 4.8 pt -140.63 155.71 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.482 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -152.18 159.87 43.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.603 ' HD2' ' CE2' ' A' ' 30' ' ' TYR . 9.4 ttp-105 -119.5 134.01 55.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -148.89 165.22 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.719 ' O ' HD13 ' A' ' 97' ' ' ILE . 25.8 mt -106.81 137.28 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.719 HD13 ' O ' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -133.19 -155.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.484 ' HA ' ' CG ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -146.71 -46.01 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.448 HG23 ' HD2' ' A' ' 100' ' ' PRO . 2.3 mt 70.18 138.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.448 ' HD2' HG23 ' A' ' 99' ' ' ILE . 18.1 Cg_endo -75.04 151.82 39.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.08 -19.33 18.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 103' ' ' GLY . 4.9 tptt -68.41 -56.35 8.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 102' ' ' LYS . . . -37.61 -46.84 1.61 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.8 t -152.48 98.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.48 152.32 22.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -148.92 -137.19 2.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 170.22 20.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.5 p -133.6 142.81 48.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 t -114.77 123.41 49.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.35 150.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.032 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 p -176.49 167.57 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.952 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.46 164.55 30.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -158.69 169.34 24.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 0.757 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.89 169.75 4.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.85 -179.58 25.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 56.41 105.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 mt -146.03 157.22 43.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.92 101.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 4.7 mttt -157.6 132.91 5.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 18.4 Cg_endo -75.02 -37.49 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.6 m 65.35 161.58 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.94 127.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 pp -45.48 167.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.409 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -103.27 167.14 10.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.963 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 16' ' ' SER . 18.3 Cg_endo -75.01 -9.0 20.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -88.2 -20.33 25.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -72.94 -28.67 62.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.643 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -63.23 -45.85 89.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -41.46 63.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -44.16 -59.42 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.31 -56.33 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -60.64 -58.06 10.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' CA ' ' HD3' ' A' ' 100' ' ' PRO . 41.8 mtt-85 -38.59 -41.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.595 ' O ' HG22 ' A' ' 96' ' ' ILE . . . -42.98 -25.08 0.31 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 25' ' ' ARG . 1.1 t30 -45.54 -24.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 0.802 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 26' ' ' GLY . . . -42.67 -80.45 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 97' ' ' ILE . 1.2 mm-40 -134.26 -170.89 2.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 16.8 p90 -122.77 148.68 45.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.619 ' HB3' HG13 ' A' ' 97' ' ' ILE . . . -125.13 141.77 51.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.525 ' CH2' HD22 ' A' ' 75' ' ' LEU . 65.5 m95 -89.75 149.84 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 20.3 m-85 -135.79 145.96 47.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.503 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 16.1 p90 -138.86 129.54 26.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 39' ' ' GLY . 2.1 tt0 -44.73 145.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.32 -130.02 2.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.08 -56.54 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -70.69 -59.28 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . -156.7 -93.24 0.1 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -121.25 149.08 43.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 7.4 m95 -120.5 144.7 47.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.58 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -98.56 120.29 38.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.423 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 93.2 m-85 -49.09 179.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 27.1 t0 -83.68 -64.82 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 3.4 tt0 163.54 -27.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -71.05 -43.79 67.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.472 HG22 HD11 ' A' ' 51' ' ' LEU . 2.3 m -70.19 -63.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.506 ' HA ' HD22 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -38.56 -44.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.049 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.59 -28.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 48' ' ' SER . 5.0 mm-40 -94.87 -36.75 11.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 48' ' ' SER . 3.8 mp -50.63 -44.22 57.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 1.3 tm-20 -76.57 -51.26 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -48.52 -44.4 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.468 ' CB ' ' HB ' ' A' ' 62' ' ' THR . . . -70.51 -61.83 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 3.2 t80 -37.05 -35.95 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 t -88.66 -54.63 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -40.95 -46.86 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.76 -5.96 16.19 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.125 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 61' ' ' ASN . 17.7 mttt -54.02 -28.16 36.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 0.8 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER 66.45 -58.26 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 59' ' ' LYS . 1.1 m120 -102.31 113.41 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.468 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 9.1 t -108.08 123.97 49.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.68 124.18 33.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.788 ' HE1' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -120.65 143.96 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.552 HD13 HD22 ' A' ' 70' ' ' LEU . 2.5 tp -118.49 110.24 17.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.839 HD12 ' CD2' ' A' ' 71' ' ' TYR . 4.3 mt -94.65 -179.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.772 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -41.33 92.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 48.45 46.65 29.23 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.414 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -145.28 114.65 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 0.723 . . . . 0.0 110.959 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.552 HD22 HD13 ' A' ' 65' ' ' LEU . 4.6 mm? -81.26 108.45 14.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.839 ' CD2' HD12 ' A' ' 66' ' ' ILE . 15.8 m-85 -119.5 151.87 37.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.8 t -136.19 116.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.788 ' HB2' ' HE1' ' A' ' 64' ' ' MET . . . -95.2 114.14 25.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.442 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 24.1 t0 -98.07 104.07 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.525 HD22 ' CH2' ' A' ' 32' ' ' TRP . 7.6 mt -74.47 -30.55 61.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -50.09 -44.77 52.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.427 ' O ' HG13 ' A' ' 79' ' ' VAL . 21.0 m-80 -101.35 -8.09 22.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.4 tpt 68.36 36.09 3.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.657 HG12 ' HG2' ' A' ' 91' ' ' LYS . 1.3 m -142.48 147.32 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.482 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 5.8 pt20 -114.73 133.52 55.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 4.5 p90 -130.6 156.32 45.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' HG3' ' CB ' ' A' ' 88' ' ' ARG . 39.6 mtt180 -73.02 135.46 44.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.452 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 1.5 ttt180 -55.59 -56.68 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -73.28 -47.15 45.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -93.52 60.25 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -41.61 -30.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.598 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.39 -57.02 20.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.439 ' CB ' ' HG3' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -60.85 117.74 5.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.413 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 21.3 ptt180 -157.2 167.64 29.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.71 158.98 43.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.657 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -83.12 135.13 34.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.504 HD11 HD23 ' A' ' 75' ' ' LEU . 23.1 pt -112.27 160.93 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -154.05 163.64 39.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -118.34 111.36 18.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -105.34 170.53 7.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 1.009 ' O ' HD13 ' A' ' 97' ' ' ILE . 17.5 mt -106.51 127.89 61.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 1.009 HD13 ' O ' ' A' ' 96' ' ' ILE . 1.9 mm -140.83 -164.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.797 ' H ' HG22 ' A' ' 97' ' ' ILE . 0.1 OUTLIER 67.47 119.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.772 ' C ' HD12 ' A' ' 99' ' ' ILE . 1.4 pp -90.13 158.19 44.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.463 ' HD3' ' CA ' ' A' ' 25' ' ' ARG . 18.3 Cg_endo -75.03 93.54 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.16 -47.95 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -87.41 -54.37 4.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -37.37 -56.75 1.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.1 p -42.53 145.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.34 160.45 2.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.91 -157.65 11.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 139.2 24.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.8 t -108.93 135.73 49.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.1 t -107.65 144.17 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 8.1 p90 . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.493 0.187 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.76 155.09 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.648 ' CH2' HD22 ' A' ' 75' ' ' LEU . 38.7 m95 -100.09 144.11 29.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 13.6 m-85 -124.26 127.08 47.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.405 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 28.6 p90 -107.79 136.88 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -48.34 144.1 4.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -143.4 -142.84 4.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -68.43 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -55.41 -50.7 69.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.07 -79.76 0.05 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -129.83 152.45 49.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.405 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 23.4 m95 -130.69 144.92 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 108.001 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.498 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 1.1 tt0 -89.02 135.87 33.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -62.48 -170.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.97 -68.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 178.29 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -80.31 -50.5 10.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 m -44.53 -31.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.354 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.8 p -84.09 -38.58 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -49.54 -22.86 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -86.89 -38.7 16.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.21 -30.93 71.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.563 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -84.36 -49.79 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.26 -48.79 67.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.39 -59.73 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.788 ' HB2' HD13 ' A' ' 75' ' ' LEU . 9.8 t80 -48.44 -51.19 28.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -62.42 -60.83 2.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -41.2 -39.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.9 -8.48 6.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -57.51 140.16 51.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 0.0 109.256 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.415 ' HB3' ' CG ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -95.76 -47.25 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -122.23 123.62 41.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -117.43 132.07 56.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -96.32 130.82 43.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.635 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 6.9 ptp -123.44 146.62 47.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.592 HD13 HD22 ' A' ' 70' ' ' LEU . 1.5 tp -117.4 106.43 13.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.7 HG22 ' H ' ' A' ' 67' ' ' ALA . 3.8 mt -87.77 177.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.7 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -42.54 92.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 51.59 46.91 53.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.665 ' CD1' ' CE2' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -149.33 106.93 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 111.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.592 HD22 HD13 ' A' ' 65' ' ' LEU . 4.6 mm? -76.2 107.95 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.665 ' CE2' ' CD1' ' A' ' 69' ' ' PHE . 15.6 m-85 -118.86 153.28 34.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.538 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 21.4 t -132.04 119.34 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.635 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -102.8 126.34 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.78 117.02 32.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.788 HD13 ' HB2' ' A' ' 55' ' ' PHE . 18.3 mt -79.51 -25.17 41.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.415 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 1.8 mm-40 -51.91 -49.27 63.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -101.46 -4.93 25.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.69 48.44 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.06 -174.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 7.3 pt20 -153.08 126.81 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.538 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 3.5 p90 -123.73 155.81 37.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.554 ' NH1' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -67.93 131.4 45.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.493 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -44.34 -59.04 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -81.58 -49.22 10.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -85.21 78.72 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -57.48 -33.32 67.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.83 -56.87 21.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -64.51 112.5 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.434 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 10.3 ptt180 -159.27 158.27 32.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -140.66 168.2 20.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -88.87 157.68 18.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 18.9 pt -135.42 147.07 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -145.65 134.35 22.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -85.69 118.19 25.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -118.78 161.61 19.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.3 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.465 ' CD2' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.48 0.181 . . . . 0.0 111.042 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.55 119.64 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.837 ' CH2' HD22 ' A' ' 75' ' ' LEU . 27.6 m95 -88.95 127.33 35.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.013 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -112.23 160.44 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 21.6 p90 -143.53 147.79 35.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -42.29 120.55 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.416 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -115.06 -160.33 12.73 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.575 1.172 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.74 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -66.52 -44.48 82.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -159.44 -106.36 0.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -113.34 129.67 56.47 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.555 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 10.4 m95 -101.82 150.88 22.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.056 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.37 164.03 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -90.31 178.34 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.73 -65.86 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 176.95 -51.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' THR . 18.5 mtm180 -67.91 -53.2 28.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ARG . 3.3 m -38.43 -45.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' LEU . 70.6 p -70.54 -48.26 56.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -46.61 -25.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -89.02 -34.76 16.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.513 HD23 HG21 ' A' ' 62' ' ' THR . 89.2 mt -62.16 -47.4 84.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HG3' ' CD2' ' A' ' 30' ' ' TYR . 7.6 tm-20 -64.2 -58.22 7.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.45 -52.47 13.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.92 -70.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.658 ' HB2' HD13 ' A' ' 75' ' ' LEU . 11.0 t80 -38.34 -49.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.7 t -65.2 -60.57 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -45.03 -44.31 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.14 -17.82 4.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -49.91 100.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -60.3 -42.61 95.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -123.68 119.67 30.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.513 HG21 HD23 ' A' ' 51' ' ' LEU . 9.9 t -108.79 121.78 45.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.48 128.7 35.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.64 ' SD ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -126.46 130.05 49.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.608 HD13 HD22 ' A' ' 70' ' ' LEU . 2.3 tp -98.1 103.76 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.568 HG22 ' N ' ' A' ' 67' ' ' ALA . 14.5 mm -80.57 169.71 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.568 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -45.84 91.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 58.67 44.76 95.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.511 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 6.1 m-85 -155.78 100.97 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.608 HD22 HD13 ' A' ' 65' ' ' LEU . 4.6 mm? -68.11 111.08 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.553 ' CD2' HG13 ' A' ' 66' ' ' ILE . 10.6 m-85 -118.07 152.96 34.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.555 ' CG1' ' CE1' ' A' ' 81' ' ' TYR . 66.9 t -134.47 115.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.64 ' HB2' ' SD ' ' A' ' 64' ' ' MET . . . -94.65 111.23 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.442 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.7 t0 -96.85 110.97 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.837 HD22 ' CH2' ' A' ' 32' ' ' TRP . 43.6 mt -77.44 -32.77 54.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -47.19 -46.62 23.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.56 ' HB2' HG22 ' A' ' 79' ' ' VAL . 31.3 m120 -102.42 -4.87 24.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.419 ' CE ' ' HA ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER 63.61 36.19 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.581 HG12 ' HG2' ' A' ' 91' ' ' LYS . 17.2 m -138.54 146.83 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 3.3 pt20 -113.47 126.09 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.555 ' CE1' ' CG1' ' A' ' 72' ' ' VAL . 5.2 p90 -123.69 153.77 40.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.28 131.8 46.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.48 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -45.13 -63.46 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -68.53 -57.73 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -86.65 82.83 7.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -59.57 -33.47 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.586 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.83 -54.91 26.04 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -65.21 111.07 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -151.49 163.13 39.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 mmt-85 -142.77 152.48 42.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.581 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -70.54 150.78 45.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.486 HD12 ' HZ3' ' A' ' 32' ' ' TRP . 6.1 pt -138.51 152.19 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.7 OUTLIER -151.06 162.39 40.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.577 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 3.1 ttp-105 -110.97 114.85 28.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -122.2 178.96 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 pt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.266 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 4.5 p90 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.491 0.186 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB1' ' NE2' ' A' ' 42' ' ' GLN . . . -139.09 147.24 41.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.671 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 52.1 m95 -101.18 153.73 19.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 19.2 m-85 -143.87 129.77 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 23.9 p90 -105.35 142.77 34.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.48 112.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.7 176.04 16.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.127 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -61.33 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.798 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -56.87 -25.48 56.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.53 -65.04 0.38 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -139.79 136.96 34.62 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.423 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 14.4 m95 -125.21 147.67 48.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.8 tt0 -90.88 161.68 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -90.77 -174.21 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.17 -77.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -178.8 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' ARG . 15.2 mmt180 -77.88 -54.85 5.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 m -40.94 -31.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.7 p -85.34 -43.15 13.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' ARG . 3.9 mtt-85 -49.89 -27.82 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -80.44 -31.32 37.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.22 -40.42 90.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 3.3 tp10 -69.89 -58.96 3.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.335 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -42.62 -46.78 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 59' ' ' LYS . . . -69.46 -53.8 17.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.432 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 22.9 t80 -49.59 -44.25 46.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.9 t -72.43 -62.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -40.43 -35.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.66 -9.82 7.64 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.69 ' O ' HD23 ' A' ' 75' ' ' LEU . 27.1 mttm -53.86 97.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.415 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 1.8 mptt -50.09 -23.19 1.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.777 ' HA ' HD22 ' A' ' 75' ' ' LEU . 19.3 p30 -166.15 154.53 10.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -131.09 150.5 52.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -98.95 127.26 44.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.508 ' HE2' ' NE2' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -122.02 152.73 39.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.746 ' CD1' HD22 ' A' ' 70' ' ' LEU . 2.0 tp -116.78 105.17 12.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.642 HG22 ' H ' ' A' ' 67' ' ' ALA . 6.6 mm -86.81 174.38 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.642 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -40.42 92.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 48.71 49.23 28.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.496 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.0 m-85 -155.36 111.21 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.746 HD22 ' CD1' ' A' ' 65' ' ' LEU . 4.6 mm? -73.0 113.22 9.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.593 ' CE1' ' HG2' ' A' ' 82' ' ' ARG . 11.6 m-85 -121.6 156.95 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.57 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 74.9 t -136.11 123.9 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.516 ' CB ' ' CG ' ' A' ' 80' ' ' GLN . . . -101.62 131.68 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.476 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 31.5 t0 -115.17 124.2 50.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.777 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -91.35 -35.72 14.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.3 mt-10 -49.16 -45.51 43.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.402 ' O ' HG13 ' A' ' 79' ' ' VAL . 85.1 m-20 -102.65 -10.48 19.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.407 ' HB3' ' O ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER 62.73 53.63 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.46 ' CA ' HG12 ' A' ' 92' ' ' ILE . 3.1 m -149.64 143.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.516 ' CG ' ' CB ' ' A' ' 73' ' ' ALA . 3.0 mt-30 -109.53 121.38 45.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 6.1 p90 -126.53 148.44 49.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.593 ' HG2' ' CE1' ' A' ' 71' ' ' TYR . 1.3 mmt85 -59.44 140.36 56.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.503 ' HD3' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -49.85 -47.82 51.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -97.18 -55.21 2.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 4.9 mm-40 -69.56 57.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.436 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 3.3 t-160 -44.56 -31.36 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.649 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.44 -44.9 97.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.29 110.72 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.481 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 26.7 ptt85 -158.84 165.03 35.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 89' ' ' ARG . 3.2 mmt-85 -142.55 163.06 33.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.43 ' HG2' HG12 ' A' ' 79' ' ' VAL . 10.5 mttt -81.76 131.61 35.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.46 HG12 ' CA ' ' A' ' 79' ' ' VAL . 30.7 pt -117.68 144.1 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -137.62 165.72 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -123.28 122.77 39.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -128.55 169.04 14.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.1 mm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.604 ' CE2' ' OE1' ' A' ' 52' ' ' GLU . 18.6 p90 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.54 0.21 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.86 144.96 8.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.51 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 51.3 m95 -89.71 153.5 20.66 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -139.87 139.25 36.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -117.76 150.24 39.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.57 113.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -113.21 -173.77 18.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -63.38 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.58 -56.55 20.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.01 -70.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -134.41 135.13 42.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -126.65 160.31 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -94.01 154.72 17.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.644 ' CE2' ' CD2' ' A' ' 51' ' ' LEU . 64.8 m-85 -74.69 -83.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 21.0 t0 -173.4 -65.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.469 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 6.1 tt0 161.98 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -73.9 -44.86 53.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.42 ' C ' HD13 ' A' ' 51' ' ' LEU . 1.2 m -71.35 -64.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -37.81 -44.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.65 -29.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 48' ' ' SER . 8.9 mm-40 -94.45 -38.75 10.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.644 ' CD2' ' CE2' ' A' ' 43' ' ' TYR . 4.2 mp -48.5 -48.77 37.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.604 ' OE1' ' CE2' ' A' ' 30' ' ' TYR . 11.9 tp10 -73.54 -57.42 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -40.03 -51.55 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.609 ' HB1' ' CB ' ' A' ' 59' ' ' LYS . . . -68.38 -62.84 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -41.09 -38.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 58' ' ' GLY . 26.8 t -79.56 -61.07 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -43.26 -27.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 117.04 -8.04 16.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.609 ' CB ' ' HB1' ' A' ' 54' ' ' ALA . 1.8 mttm -51.43 122.82 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' CD ' ' HG3' ' A' ' 76' ' ' GLU . 12.2 mmtt -66.45 -28.68 68.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.836 ' HA ' HD22 ' A' ' 75' ' ' LEU . 8.1 p30 -158.81 142.27 14.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.441 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 6.3 t -113.23 135.62 53.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -89.99 123.08 33.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.672 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -118.45 150.42 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.55 HD13 HD22 ' A' ' 70' ' ' LEU . 1.1 tp -113.63 104.69 12.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.567 HG22 ' N ' ' A' ' 67' ' ' ALA . 20.6 mm -87.68 172.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.567 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -40.79 92.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 49.29 49.13 32.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.494 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 2.5 m-85 -156.57 111.2 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 65' ' ' LEU . 4.5 mm? -73.45 113.21 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 69' ' ' PHE . 11.8 m-85 -119.85 156.7 30.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.526 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 44.9 t -135.78 116.51 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.672 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -95.64 109.71 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.573 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 2.9 t0 -91.93 126.41 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.836 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -94.11 -32.86 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.462 ' HG3' ' CD ' ' A' ' 60' ' ' LYS . 1.7 mt-10 -50.77 -44.13 58.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -101.43 -10.31 20.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.41 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 66.5 46.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.3 m -151.07 147.25 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 4.4 pt20 -112.48 131.68 55.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 2.8 p90 -129.94 156.94 43.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -67.91 160.51 28.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.46 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -75.22 -74.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -61.79 -41.11 97.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.86 68.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -27.35 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.626 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.39 -56.67 14.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 1.7 mmp_? -61.11 111.66 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.77 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 3.6 ptm180 -148.1 154.4 40.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -142.89 150.5 39.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.92 142.93 41.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.414 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 20.4 pt -128.72 162.9 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -152.63 164.98 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.432 ' NH1' ' OE2' ' A' ' 52' ' ' GLU . 4.8 ttp180 -111.53 111.43 22.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -105.43 166.3 10.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.9 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 24.6 p90 . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.492 0.187 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.447 ' HB1' ' NE2' ' A' ' 42' ' ' GLN . . . -103.12 157.18 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.456 ' CH2' HD22 ' A' ' 75' ' ' LEU . 46.4 m95 -99.89 154.77 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.028 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 43.2 m-85 -143.1 146.37 33.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 17.8 p90 -124.03 148.51 46.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' TYR . 36.1 tt0 -37.65 114.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.438 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -115.68 158.87 14.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.2 -50.93 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.76 -39.75 80.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.89 -64.16 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.501 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 91.9 m95 -134.38 129.17 34.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.449 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 6.5 m95 -115.84 144.88 43.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 108.015 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 4.6 tt0 -91.63 143.53 26.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CD1' HG21 ' A' ' 47' ' ' THR . 57.6 m-85 -68.08 169.17 10.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -56.64 -68.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 179.37 -41.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' THR . 1.3 ttt180 -71.9 -57.14 4.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.555 HG21 ' CD1' ' A' ' 43' ' ' TYR . 4.0 m -37.44 -50.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.371 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 49.4 m -63.89 -51.31 65.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -43.71 -27.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' SER . 8.5 mm-40 -91.67 -35.21 14.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.972 HD23 HG21 ' A' ' 62' ' ' THR . 69.2 mt -64.59 -52.21 58.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -40.3 72.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.59 -59.49 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.85 -64.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -44.66 -52.14 8.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LYS . 5.8 t -61.1 -66.34 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' SER . 38.5 mtmt -39.92 -43.41 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.99 -7.91 6.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -52.35 140.04 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.34 -51.98 5.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -118.22 122.4 42.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.972 HG21 HD23 ' A' ' 51' ' ' LEU . 4.2 t -105.64 128.78 53.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.71 120.9 29.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.411 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -120.6 159.18 25.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.435 ' C ' HD23 ' A' ' 65' ' ' LEU . 7.8 tt -125.69 104.33 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.571 HG22 ' N ' ' A' ' 67' ' ' ALA . 13.7 mm -83.4 170.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.571 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -44.24 90.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 57.67 46.66 91.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.49 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 17.6 m-85 -159.42 97.46 1.35 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 0.754 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HG ' ' CD ' ' A' ' 83' ' ' ARG . 0.2 OUTLIER -66.72 110.46 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 82' ' ' ARG . 11.4 m-85 -114.22 163.24 15.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.415 ' CG2' ' HG3' ' A' ' 83' ' ' ARG . 47.3 t -139.26 117.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.547 ' HB3' ' CG2' ' A' ' 62' ' ' THR . . . -91.46 118.72 30.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.573 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 9.7 t0 -102.05 103.38 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.456 HD22 ' CH2' ' A' ' 32' ' ' TRP . 14.4 mt -71.68 -38.02 70.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -44.59 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -102.65 -12.06 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.3 tpt 71.59 32.44 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.665 HG12 ' HG2' ' A' ' 91' ' ' LYS . 6.9 m -139.13 143.02 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.452 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 1.1 pt20 -111.61 133.93 53.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 3.2 p90 -130.48 154.44 47.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 2.6 ttm180 -70.04 140.25 52.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -53.88 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.61 -56.64 16.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.51 79.66 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -55.35 -32.41 62.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.627 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.95 -62.89 5.65 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.6 mmt-85 -53.61 112.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.437 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -154.59 167.47 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.62 158.74 41.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.665 ' HG2' HG12 ' A' ' 79' ' ' VAL . 4.8 mttm -78.94 146.95 33.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.452 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 13.0 pt -123.24 152.57 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.501 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -149.01 165.32 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.456 ' HD2' ' CD1' ' A' ' 30' ' ' TYR . 12.0 ttp180 -118.19 116.22 26.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -111.37 125.7 54.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.516 HD13 ' HB3' ' A' ' 30' ' ' TYR . 24.2 mm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 44.8 p90 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.544 0.211 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.74 148.01 32.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.683 ' CH2' HD22 ' A' ' 75' ' ' LEU . 77.7 m95 -99.61 130.05 45.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 107.995 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 20.6 m-85 -122.83 141.46 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 41' ' ' TRP . 21.8 p90 -112.78 135.26 53.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' CD ' ' A' ' 90' ' ' ARG . 0.2 OUTLIER -49.73 132.53 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.78 -170.38 12.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -60.01 4.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.62 -46.59 83.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . 170.28 -68.41 0.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -136.92 138.85 41.1 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 19.4 m95 -124.49 156.97 36.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 107.995 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -92.95 158.83 15.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 33.3 m-85 -90.37 -170.47 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.67 -72.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 178.45 -45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -68.07 -61.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 46' ' ' ARG . 2.5 m -36.76 -44.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.42 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 64.4 m -65.56 -49.95 66.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' ARG . 39.0 mtt180 -44.93 -26.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -87.95 -35.84 17.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' SER . 96.0 mt -59.45 -53.23 60.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.559 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 7.5 tm-20 -62.51 -59.29 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.33 -45.48 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.74 -65.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.527 ' HA ' HD13 ' A' ' 75' ' ' LEU . 23.4 t80 -42.46 -44.02 3.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -59.36 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -48.7 -41.89 33.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.12 -7.83 8.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -52.11 129.44 27.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.57 -54.29 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -114.05 145.28 41.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.998 HG22 ' HB3' ' A' ' 73' ' ' ALA . 6.4 t -126.05 159.56 32.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' OE1' ' NH1' ' A' ' 83' ' ' ARG . 2.3 tt0 -106.69 145.33 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.91 127.84 11.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.474 HD13 HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -91.56 106.0 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.682 HG22 ' H ' ' A' ' 67' ' ' ALA . 4.5 mm -94.8 175.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.682 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -36.17 92.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 41.48 51.68 4.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD2' ' O ' ' A' ' 67' ' ' ALA . 12.4 m-85 -160.65 120.66 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 0.745 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.474 HD22 HD13 ' A' ' 65' ' ' LEU . 3.4 mm? -75.17 122.5 23.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.607 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.6 m-85 -127.04 163.44 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.764 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.3 m -140.37 144.49 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.998 ' HB3' HG22 ' A' ' 62' ' ' THR . . . -113.85 115.43 27.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.556 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 24.2 t70 -97.59 102.8 14.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.683 HD22 ' CH2' ' A' ' 32' ' ' TRP . 10.3 mt -71.6 -29.2 64.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.91 -50.86 25.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 78' ' ' MET . 13.7 m-80 -101.83 -3.08 28.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.234 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 65.24 37.57 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.514 HG11 ' NH1' ' A' ' 89' ' ' ARG . 6.2 m -141.84 145.45 24.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 0.3 OUTLIER -114.39 147.79 38.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.09 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.764 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 1.6 p90 -145.05 157.95 43.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.463 ' CG ' ' CE1' ' A' ' 71' ' ' TYR . 1.2 mtm180 -63.83 136.13 57.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.425 ' NH1' ' OE1' ' A' ' 63' ' ' GLU . 2.7 ttt180 -50.16 -51.75 41.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -91.04 -54.15 4.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -73.61 57.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -41.96 -28.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.583 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 85' ' ' GLU . . . -57.81 -49.21 76.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -69.48 111.52 5.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.514 ' NH1' HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -146.49 163.92 34.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.433 ' CD ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -157.47 154.85 29.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.365 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HA ' HG12 ' A' ' 79' ' ' VAL . 18.8 mttt -79.37 151.97 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 12.6 pt -134.76 148.27 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -142.54 165.39 27.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -119.39 109.34 15.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -101.3 175.06 5.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.0 mm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 8.3 p90 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.502 0.191 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.472 ' HB1' ' CD ' ' A' ' 42' ' ' GLN . . . -149.05 151.48 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.447 ' CB ' HD12 ' A' ' 51' ' ' LEU . 36.6 m95 -90.72 140.89 29.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 10.5 m-85 -125.57 153.2 44.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CD2' ' O ' ' A' ' 35' ' ' GLU . 9.6 p90 -135.05 150.46 50.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.563 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 30.6 tt0 -55.37 142.56 31.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -144.69 -143.53 4.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -78.54 -67.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.27 -52.75 64.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.05 -79.2 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -126.76 147.26 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -138.97 152.88 48.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.049 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.583 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -91.95 147.31 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -68.18 -66.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -176.65 -68.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 177.9 -44.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -76.55 -56.57 4.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 m -42.81 -40.36 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' LEU . 36.1 p -75.96 -44.75 38.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -45.15 -26.16 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -85.82 -39.59 16.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.497 HD23 ' CG2' ' A' ' 62' ' ' THR . 81.7 mt -53.12 -51.14 62.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -60.95 -58.77 7.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.78 -52.18 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.451 ' CA ' ' HB2' ' A' ' 59' ' ' LYS . . . -65.32 -59.2 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -44.78 -50.1 10.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.419 ' C ' ' N ' ' A' ' 58' ' ' GLY . 28.0 t -67.75 -62.03 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -41.02 -29.64 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 117.09 -10.74 15.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.746 ' O ' HD23 ' A' ' 75' ' ' LEU . 11.3 mttm -50.35 100.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.483 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -46.88 -30.65 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.816 ' HA ' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -147.73 168.82 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.497 ' CG2' HD23 ' A' ' 51' ' ' LEU . 10.4 t -150.13 128.49 12.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -81.58 158.46 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.537 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -156.84 157.63 35.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.6 tp -115.76 113.62 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 1.031 HD12 ' CD2' ' A' ' 71' ' ' TYR . 3.8 mt -104.26 -179.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.753 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -37.82 93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 40.8 47.58 4.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.406 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 11.5 m-85 -158.05 111.44 2.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.544 HD13 ' HD2' ' A' ' 83' ' ' ARG . 4.3 mt -75.87 121.96 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 1.031 ' CD2' HD12 ' A' ' 66' ' ' ILE . 18.2 m-85 -120.91 161.4 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.511 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 59.8 t -131.64 112.28 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -92.33 107.59 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.449 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 53.8 t0 -92.23 123.93 35.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.816 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -89.55 -32.64 17.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HG3' ' CG ' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -45.27 -48.41 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.334 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -103.79 -7.22 20.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.9 tpt 66.46 41.75 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.476 HG12 ' CG ' ' A' ' 91' ' ' LYS . 5.2 m -139.58 144.74 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 2.0 pt20 -112.45 126.9 55.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.511 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 5.4 p90 -127.34 145.24 50.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -56.7 137.35 54.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.544 ' HD2' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -51.62 -68.23 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -68.72 -50.46 50.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -91.7 80.86 5.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -26.27 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.55 -56.28 22.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -68.39 112.41 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -153.22 164.53 37.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.22 144.52 23.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.24 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.476 ' CG ' HG12 ' A' ' 79' ' ' VAL . 2.2 ttmt -68.51 151.43 46.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 25.9 pt -128.29 154.39 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -145.8 144.17 30.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -87.45 112.91 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.492 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . 30.5 t0 -105.26 168.91 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.9 mt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.572 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 9.1 p90 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.5 0.19 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.12 164.5 25.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.652 ' CH2' HD22 ' A' ' 75' ' ' LEU . 40.0 m95 -106.21 141.51 37.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 42' ' ' GLN . 7.6 m-85 -124.28 149.33 46.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.598 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 7.8 p90 -136.38 133.67 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.5 tp10 -32.79 116.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.77 -161.85 26.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.38 -35.77 34.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -88.14 -48.46 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.09 -84.48 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -119.4 121.04 38.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.598 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -95.33 127.66 41.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.581 ' HB2' ' CE2' ' A' ' 33' ' ' TYR . 4.3 tt0 -90.91 128.96 36.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -60.75 -178.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -74.9 -69.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 178.61 -39.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -75.66 -65.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' ARG . 18.8 m -37.13 -42.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.436 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' LEU . 87.0 p -70.96 -48.35 53.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . 2.0 mmm180 -48.55 -23.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -85.94 -33.99 21.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.548 HD12 ' CB ' ' A' ' 32' ' ' TRP . 17.9 mt -55.56 -48.79 74.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 2.3 tm-20 -71.23 -47.38 57.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -42.5 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 59' ' ' LYS . . . -76.27 -56.31 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.513 ' HB2' HD13 ' A' ' 75' ' ' LEU . 7.1 t80 -48.55 -46.4 38.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.9 t -65.1 -63.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -40.11 -34.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.17 -10.26 6.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 24.8 mttp -59.61 119.77 8.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.42 ' HB2' ' CG ' ' A' ' 76' ' ' GLU . 7.5 pttt -85.7 -39.28 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -113.81 110.03 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 73' ' ' ALA . 8.8 t -111.04 118.18 35.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.48 146.65 30.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.731 ' O ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -138.67 160.23 40.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 tp -116.29 103.98 11.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.581 HG22 ' N ' ' A' ' 67' ' ' ALA . 22.5 mm -87.37 171.61 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.581 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -43.74 92.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 52.97 45.35 61.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.429 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 21.6 m-85 -163.03 100.19 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 64' ' ' MET . 23.9 tp -72.16 116.22 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.522 ' CE1' ' HG3' ' A' ' 82' ' ' ARG . 18.3 m-85 -112.81 170.37 8.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.53 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 90.1 t -131.37 112.4 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.622 ' HB2' ' SD ' ' A' ' 64' ' ' MET . . . -88.54 114.08 24.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -99.34 102.04 13.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.652 HD22 ' CH2' ' A' ' 32' ' ' TRP . 3.6 mt -71.52 -27.02 62.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -49.69 -52.41 31.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 78' ' ' MET . 35.5 m-80 -102.34 -4.26 25.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 65.69 46.44 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.54 137.74 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.461 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -108.11 128.07 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.53 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 8.7 p90 -127.09 143.39 51.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.522 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -47.42 152.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.573 ' HG3' HD23 ' A' ' 70' ' ' LEU . 3.0 mmm180 -46.04 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' HIS . 79.6 m-20 -84.49 -49.25 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.72 71.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' ASN . 37.0 t-80 -55.31 -41.01 71.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.558 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.62 -54.49 6.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.06 112.43 5.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -159.08 165.62 33.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -149.53 154.33 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -73.92 145.95 44.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.461 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 7.7 pt -122.84 141.96 41.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.63 165.94 25.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -107.92 114.52 28.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.56 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . 18.2 t70 -110.7 175.53 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 30.6 mm . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 96' ' ' ILE . 26.9 p90 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.514 0.197 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.63 133.83 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.534 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 49.9 m95 -90.54 139.68 30.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -127.22 150.91 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 9.9 p90 -134.28 150.73 51.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -50.14 109.67 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.89 -164.69 20.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -63.52 -44.05 95.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.6 -66.87 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.4 ' HA ' ' O ' ' A' ' 34' ' ' TYR . 40.1 m95 -137.56 138.54 39.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -129.89 167.97 17.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.39 154.8 19.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.417 ' OH ' HG21 ' A' ' 92' ' ' ILE . 88.1 m-85 -77.12 -65.35 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -177.97 -81.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -172.73 -39.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -78.56 -57.89 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.8 m -42.95 -35.76 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' LEU . 75.3 p -78.6 -42.87 27.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -26.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -85.25 -40.8 16.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.546 HD23 ' CG2' ' A' ' 62' ' ' THR . 49.5 mt -55.33 -58.14 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.58 -44.38 69.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -45.49 93.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.441 ' CB ' ' HB ' ' A' ' 62' ' ' THR . . . -67.75 -61.92 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -43.06 -45.33 5.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.455 ' C ' ' N ' ' A' ' 58' ' ' GLY . 1.5 t -69.56 -63.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -40.15 -29.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 116.36 -8.11 18.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.558 ' O ' HD23 ' A' ' 75' ' ' LEU . 30.3 mttm -54.09 104.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -51.22 -27.13 8.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.857 ' HA ' HD22 ' A' ' 75' ' ' LEU . 4.9 p30 -157.3 149.76 23.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.546 ' CG2' HD23 ' A' ' 51' ' ' LEU . 5.8 t -122.35 142.59 50.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.25 123.29 39.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.635 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -117.86 157.02 27.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.579 HD13 HD22 ' A' ' 70' ' ' LEU . 2.9 tp -121.8 105.84 10.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.561 HG13 ' CD2' ' A' ' 71' ' ' TYR . 12.0 mm -87.52 172.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.552 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -41.21 92.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 50.77 49.06 42.51 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.438 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 7.2 m-85 -157.55 107.07 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 111.038 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.579 HD22 HD13 ' A' ' 65' ' ' LEU . 4.6 mm? -70.07 115.01 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 82' ' ' ARG . 9.7 m-85 -121.1 158.7 27.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.543 ' CG1' ' CE1' ' A' ' 81' ' ' TYR . 63.0 t -136.94 120.38 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.635 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -102.08 109.11 20.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.478 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 9.8 t0 -92.45 127.42 37.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.857 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -93.99 -38.35 11.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.43 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 0.9 OUTLIER -48.31 -41.08 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -102.06 -14.19 17.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.452 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 2.1 tpt 67.36 47.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.452 ' CG1' ' C ' ' A' ' 78' ' ' MET . 1.2 m -152.54 147.34 14.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 6.2 pt20 -114.79 133.95 55.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.543 ' CE1' ' CG1' ' A' ' 72' ' ' VAL . 2.9 p90 -130.48 158.84 38.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -77.36 138.58 39.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.48 ' CG ' HG23 ' A' ' 72' ' ' VAL . 3.6 mtp180 -56.2 -73.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.27 -49.61 69.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -97.12 75.58 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -55.68 -18.91 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.615 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.89 -54.99 21.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -60.33 111.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 110.357 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -148.17 157.29 43.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -147.19 149.02 32.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -74.48 144.51 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.417 HG21 ' OH ' ' A' ' 43' ' ' TYR . 36.8 pt -129.56 161.11 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.01 135.32 13.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.448 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 8.8 ttp180 -94.72 111.83 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -109.05 -177.18 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.447 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 8.8 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.474 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 23.2 p90 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.483 0.182 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.93 -179.98 3.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.793 ' CH2' HD22 ' A' ' 75' ' ' LEU . 59.3 m95 -124.19 150.69 44.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' ' 95' ' ' ASP . 20.5 m-85 -143.46 157.4 44.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.579 ' CD2' ' O ' ' A' ' 35' ' ' GLU . 9.2 p90 -127.39 153.9 45.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.579 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 42.4 tt0 -56.63 137.9 53.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.72 -147.33 5.22 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.06 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -58.04 -51.76 68.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.87 -94.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.458 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 66.7 m95 -119.62 128.95 54.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -112.54 155.08 24.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.033 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.541 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.6 tt0 -90.25 145.83 24.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.448 ' CE1' ' HB3' ' A' ' 34' ' ' TYR . 65.3 m-85 -66.79 -70.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.9 -71.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 177.3 -40.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.9 mmt-85 -75.8 -52.31 10.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 m -45.11 -43.58 9.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' LEU . 26.3 p -71.79 -47.73 51.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HA ' ' CG ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -43.36 -28.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -90.12 -35.94 15.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.744 HD23 ' CG2' ' A' ' 62' ' ' THR . 56.4 mt -70.95 -37.87 72.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.416 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -68.71 -38.38 80.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.05 -52.07 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' PHE . . . -53.04 -69.1 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ALA . 28.5 t80 -37.35 -49.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -65.83 -64.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' SER . 6.7 mtmt -39.9 -38.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.75 -16.77 5.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -54.7 138.01 42.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -85.23 -56.25 3.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -109.68 164.49 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.744 ' CG2' HD23 ' A' ' 51' ' ' LEU . 9.0 t -155.15 122.33 5.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.78 128.3 34.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.623 ' HE1' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -127.12 117.61 22.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 tp -87.8 100.96 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.968 HD12 ' CD2' ' A' ' 71' ' ' TYR . 9.5 mt -82.38 177.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.721 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -45.52 91.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 54.39 40.61 69.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.25 94.96 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.035 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -69.96 117.25 11.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.968 ' CD2' HD12 ' A' ' 66' ' ' ILE . 12.4 m-85 -119.11 160.83 21.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.579 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 49.9 t -136.97 130.11 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.674 ' HB3' HG22 ' A' ' 62' ' ' THR . . . -105.74 141.0 37.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -130.64 103.51 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.793 HD22 ' CH2' ' A' ' 32' ' ' TRP . 11.6 mt -73.5 -38.58 65.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.08 -46.32 4.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -102.05 -13.39 17.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.405 ' C ' HG12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER 69.6 41.11 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.517 HG12 ' HG2' ' A' ' 91' ' ' LYS . 5.8 m -136.4 156.96 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 4.0 mt-30 -124.6 126.15 45.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.579 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 19.7 p90 -131.24 150.89 51.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 1.0 OUTLIER -59.8 149.18 31.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.451 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -59.73 -70.1 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -64.61 -56.93 10.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 3.0 mt-10 -87.76 100.97 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -75.7 -30.98 59.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.554 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.98 -47.59 39.97 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.98 109.6 7.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.723 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -157.33 170.78 21.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -159.32 147.2 17.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.517 ' HG2' HG12 ' A' ' 79' ' ' VAL . 12.0 mttt -68.43 144.28 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.405 HG12 ' C ' ' A' ' 78' ' ' MET . 12.3 pt -118.08 164.63 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.458 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 6.2 pttt -151.48 165.46 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -108.5 121.98 46.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.571 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . 5.8 t70 -103.64 -179.96 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.0 mm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 33.7 p90 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.515 0.198 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.99 137.46 7.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.73 ' CH2' HD22 ' A' ' 75' ' ' LEU . 33.8 m95 -94.32 163.2 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.015 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.452 ' HB2' ' CG ' ' A' ' 93' ' ' LYS . 41.1 m-85 -144.32 161.89 37.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 41' ' ' TRP . 17.4 p90 -137.44 146.67 44.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.06 108.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.67 -179.7 18.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.16 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.42 -39.97 64.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.3 -69.04 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -136.2 111.73 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 14.0 m95 -97.08 147.2 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.007 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.7 tt0 -88.38 163.03 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CE2' HD11 ' A' ' 51' ' ' LEU . 42.8 m-85 -87.43 -171.37 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -78.23 -65.85 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 177.33 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -67.0 -50.09 63.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.491 HG21 ' CD1' ' A' ' 43' ' ' TYR . 1.9 m -43.34 -54.53 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' LEU . 60.9 p -61.16 -48.5 81.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.57 -26.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -91.22 -35.36 14.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.609 HD23 HG21 ' A' ' 62' ' ' THR . 95.9 mt -59.41 -50.6 73.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.543 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 15.1 tt0 -58.47 -60.19 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.82 -54.3 3.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.33 -64.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.412 ' HA ' HD13 ' A' ' 75' ' ' LEU . 62.4 t80 -42.58 -44.03 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.91 -66.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -40.66 -38.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.45 -9.16 13.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -50.95 134.84 25.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -77.44 -53.22 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -113.25 145.3 41.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 1.004 HG22 ' HB3' ' A' ' 73' ' ' ALA . 12.2 t -127.87 163.72 23.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -110.4 149.15 30.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 1.066 ' HE1' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -155.16 121.63 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.62 HD13 HD22 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -85.49 102.45 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.695 HG22 ' H ' ' A' ' 67' ' ' ALA . 4.4 mm -90.16 176.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.695 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -37.43 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 43.51 50.99 6.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.482 ' CE1' ' NH2' ' A' ' 82' ' ' ARG . 13.6 m-85 -161.44 115.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.871 HD12 ' HG3' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -74.28 115.63 14.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.613 ' CD2' HG13 ' A' ' 66' ' ' ILE . 14.7 m-85 -119.35 166.18 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.5 m -139.06 141.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 1.066 ' HB2' ' HE1' ' A' ' 64' ' ' MET . . . -109.4 114.08 27.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.513 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.6 t0 -96.15 102.54 14.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.73 HD22 ' CH2' ' A' ' 32' ' ' TRP . 4.3 mt -73.84 -19.97 60.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -53.99 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -100.85 -3.96 28.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 tpt 68.74 44.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 m -149.33 144.97 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.492 ' NE2' ' CE ' ' A' ' 64' ' ' MET . 3.2 pt20 -113.75 145.07 41.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 4.2 p90 -144.3 160.65 40.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.482 ' NH2' ' CE1' ' A' ' 69' ' ' PHE . 9.6 mtt180 -61.19 147.69 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.871 ' HG3' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -48.66 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' HIS . 11.3 t30 -74.29 -52.67 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -63.25 74.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 84' ' ' ASN . 72.0 m-70 -56.95 -17.37 9.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.64 -65.17 2.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 4.4 mtt85 -52.6 109.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.493 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -151.58 158.66 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -156.73 153.19 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.246 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -71.93 152.26 42.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.494 HG22 ' OH ' ' A' ' 43' ' ' TYR . 3.4 pt -132.56 155.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 8.5 pttt -147.06 162.08 39.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.42 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 12.1 ttp180 -116.01 115.0 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -117.79 159.89 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.3 mm . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.525 ' CE2' ' OE2' ' A' ' 52' ' ' GLU . 50.8 p90 . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.478 0.18 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.35 125.93 26.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.559 ' CE3' HD13 ' A' ' 51' ' ' LEU . 53.6 m95 -89.83 127.61 36.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.046 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 32.1 m-85 -115.63 155.92 26.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 91' ' ' LYS . 24.2 p90 -137.28 149.6 47.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.74 127.73 31.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.35 -141.97 8.77 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 -48.36 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -94.01 -58.01 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -137.13 -144.65 4.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.147 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -90.05 144.35 25.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.433 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 7.9 m95 -121.36 156.93 31.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -97.4 156.11 16.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.551 ' CD1' HG21 ' A' ' 47' ' ' THR . 47.8 m-85 -84.24 -171.06 3.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -80.19 -66.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 176.87 -51.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.453 ' CG ' ' N ' ' A' ' 47' ' ' THR . 31.9 ptt180 -65.15 -49.54 69.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.551 HG21 ' CD1' ' A' ' 43' ' ' TYR . 1.5 m -44.94 -42.3 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.6 m -71.68 -44.79 63.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -25.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.28 -37.65 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.559 HD13 ' CE3' ' A' ' 32' ' ' TRP . 85.7 mt -54.41 -52.71 60.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.525 ' OE2' ' CE2' ' A' ' 30' ' ' TYR . 15.0 tt0 -65.13 -55.36 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -44.31 -49.81 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.05 -58.28 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.482 ' HA ' HD13 ' A' ' 75' ' ' LEU . 24.6 t80 -42.05 -52.23 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.26 -57.26 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.435 ' HE3' ' CE ' ' A' ' 59' ' ' LYS . 4.7 mmmt -47.72 -42.14 24.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.14 -7.68 16.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' CE ' ' HE3' ' A' ' 57' ' ' LYS . 57.5 mttm -48.09 139.68 7.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.46 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 4.4 mptt -76.44 -54.93 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -117.49 150.8 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.874 HG22 ' HB3' ' A' ' 73' ' ' ALA . 11.1 t -129.27 141.88 50.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -86.69 114.91 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.736 ' SD ' ' HB2' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -125.2 125.54 43.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.088 HD13 HD22 ' A' ' 70' ' ' LEU . 14.7 tp -99.99 112.48 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.8 HD12 ' CD2' ' A' ' 71' ' ' TYR . 1.8 mt -100.03 -169.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.79 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -36.5 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 37.24 44.48 1.11 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.557 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.5 m-85 -143.85 121.39 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.764 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.088 HD22 HD13 ' A' ' 65' ' ' LEU . 3.3 mm? -78.0 108.36 11.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.8 ' CD2' HD12 ' A' ' 66' ' ' ILE . 15.0 m-85 -119.09 165.37 14.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.8 m -140.02 132.02 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.874 ' HB3' HG22 ' A' ' 62' ' ' THR . . . -99.11 116.62 31.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 19.2 t0 -100.36 101.78 12.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 55' ' ' PHE . 8.2 mt -70.78 -37.12 73.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.46 ' HG3' ' CG ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -46.55 -43.58 17.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -102.01 -12.49 18.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.422 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 4.3 tpt 70.17 38.1 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' CG1' ' C ' ' A' ' 78' ' ' MET . 1.1 m -149.77 146.52 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -112.03 148.7 33.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 3.4 p90 -148.24 159.23 44.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -61.28 144.93 52.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.27 -73.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -75.28 -51.05 14.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 87' ' ' GLY . 1.5 mm-40 -74.65 60.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.55 -26.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 85' ' ' GLU . . . -49.6 -66.48 2.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 2.4 mmp_? -55.15 113.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 0.737 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.495 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 1.1 ptp180 -152.1 162.58 40.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.83 150.0 9.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 2.3 mtmm -66.95 155.71 37.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 5.5 pt -132.6 157.75 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.47 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -153.65 166.01 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -131.08 109.04 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -107.33 116.23 31.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 56.5 mt . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.501 ' CD1' ' NH1' ' A' ' 94' ' ' ARG . 23.5 p90 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.487 0.184 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.28 173.54 9.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.679 ' HH2' HD22 ' A' ' 75' ' ' LEU . 34.0 m95 -117.78 145.1 44.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 107.996 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 31.2 m-85 -133.68 161.13 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 41' ' ' TRP . 31.9 p90 -130.35 156.37 44.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.34 109.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -113.97 -160.93 13.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.07 -64.82 0.77 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -54.84 -40.01 69.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.84 -70.72 0.2 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -130.19 126.41 37.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.426 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 6.5 m95 -116.45 150.38 37.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.559 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.1 tt0 -89.44 161.02 16.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.46 ' OH ' HG22 ' A' ' 92' ' ' ILE . 48.1 m-85 -89.45 -175.98 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.8 -74.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -176.54 -41.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -70.01 -48.8 56.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -42.63 -54.8 3.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.7 p -60.1 -40.72 90.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -29.14 35.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -89.6 -25.96 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.21 -57.38 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.89 -50.81 65.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -51.63 -56.79 11.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.21 -63.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.685 ' HA ' HD13 ' A' ' 75' ' ' LEU . 26.5 t80 -39.0 -45.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 t -65.79 -56.22 13.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -52.15 -41.05 62.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.26 -9.41 17.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.823 ' O ' HD12 ' A' ' 75' ' ' LEU . 22.3 mttm -43.31 123.93 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.94 -55.05 21.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -114.26 141.59 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.844 HG22 ' HB3' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -123.04 153.51 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -110.74 146.99 35.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.19 120.68 3.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 tp -81.47 110.35 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.697 HG22 ' H ' ' A' ' 67' ' ' ALA . 3.7 mm -97.94 176.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.697 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -38.06 92.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 43.83 50.13 7.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 68' ' ' GLY . 11.6 m-85 -166.09 109.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.68 HD22 ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -73.07 120.02 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.605 ' CD2' HG13 ' A' ' 66' ' ' ILE . 18.8 m-85 -119.46 161.67 20.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.655 HG23 ' CE1' ' A' ' 81' ' ' TYR . 3.2 m -137.11 144.07 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.844 ' HB3' HG22 ' A' ' 62' ' ' THR . . . -111.82 124.05 51.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' MET . 0.7 OUTLIER -98.91 96.99 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 59' ' ' LYS . 21.4 mt -66.85 -29.66 69.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.1 -52.05 47.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -102.66 -4.51 25.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER 63.58 55.96 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.627 HG12 ' HG2' ' A' ' 91' ' ' LYS . 2.5 m -138.83 -173.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.488 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 9.9 mt-30 -152.64 131.67 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.655 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.6 p90 -141.66 156.23 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.463 ' CZ ' ' HG3' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -65.34 163.89 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.68 ' HG3' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -73.11 -75.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -66.86 -53.66 30.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 4.5 mm-40 -84.72 83.13 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -60.48 -19.3 56.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.575 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.44 -65.02 3.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 64.5 mmt-85 -56.8 111.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.5 OUTLIER -162.53 172.05 16.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.61 169.32 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.627 ' HG2' HG12 ' A' ' 79' ' ' VAL . 1.4 tttt -84.08 152.86 24.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.507 HG12 ' CA ' ' A' ' 79' ' ' VAL . 7.8 pt -130.8 153.05 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -141.73 161.48 37.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.501 ' NH1' ' CD1' ' A' ' 30' ' ' TYR . 7.0 ttp85 -104.76 116.05 31.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -107.68 176.38 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 30' ' ' TYR . 10.0 p90 . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.477 0.179 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.65 133.88 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.592 ' CH2' HD22 ' A' ' 75' ' ' LEU . 93.3 m95 -91.31 135.68 33.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.019 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.517 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 28.3 m-85 -132.05 132.71 43.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 21.6 p90 -113.26 145.83 40.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.22 133.92 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.32 -164.1 10.29 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -51.44 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -67.08 -48.21 68.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.67 -76.06 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.138 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.585 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 80.8 m95 -127.58 130.03 48.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -119.31 150.03 40.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 108.039 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.3 OUTLIER -91.79 133.86 35.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 51.5 m-85 -60.39 179.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -68.07 -75.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -176.65 -56.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ARG . 27.4 ttt180 -61.88 -57.13 12.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -41.12 -32.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.41 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 51' ' ' LEU . 58.6 m -78.26 -44.63 25.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.05 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' ARG . 93.3 mtt180 -43.26 -31.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -80.85 -40.06 25.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' SER . 19.6 mt -58.34 -66.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.04 -45.11 7.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -52.74 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.98 -64.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.407 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 30.5 t80 -39.39 -51.01 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -62.0 1.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -42.26 -44.86 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.24 -11.21 7.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -48.59 134.25 15.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -82.52 -51.56 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -113.66 142.62 45.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.604 ' OG1' ' HB3' ' A' ' 73' ' ' ALA . 5.1 p -121.63 159.49 26.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -115.79 151.03 35.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -159.71 120.87 3.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.95 HD13 HD12 ' A' ' 70' ' ' LEU . 1.8 tp -85.33 126.24 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.735 HG22 ' H ' ' A' ' 67' ' ' ALA . 2.4 mm -118.84 -178.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.735 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -37.99 92.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 40.84 46.82 3.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.504 ' CE1' ' NH1' ' A' ' 82' ' ' ARG . 8.5 m-85 -157.48 114.45 2.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.95 HD12 HD13 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -77.07 126.21 30.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CD2' HG13 ' A' ' 66' ' ' ILE . 23.8 m-85 -123.82 159.98 28.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.2 m -138.8 144.54 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.604 ' HB3' ' OG1' ' A' ' 62' ' ' THR . . . -116.82 110.78 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.468 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 22.1 t0 -92.88 104.39 16.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.592 HD22 ' CH2' ' A' ' 32' ' ' TRP . 11.2 mt -74.66 -21.23 59.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.47 -53.27 56.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 78' ' ' MET . 40.1 m-80 -100.69 -3.58 29.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.444 ' C ' ' CG1' ' A' ' 92' ' ' ILE . 0.0 OUTLIER 66.23 47.7 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.419 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.3 m -150.97 144.7 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.31 149.64 35.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 1.4 p90 -148.36 159.29 44.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.504 ' NH1' ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -69.77 134.09 48.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.865 ' HD3' HD23 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -56.47 -68.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.175 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -54.83 -57.61 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 19.8 mp0 -101.43 98.57 8.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -64.81 -16.89 63.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.61 -66.34 2.73 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.64 113.22 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 0.798 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.18 164.0 38.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -159.75 157.57 29.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 4.4 mttt -76.07 156.05 34.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.444 ' CG1' ' C ' ' A' ' 78' ' ' MET . 7.7 pt -134.81 144.25 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.585 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -143.05 142.25 31.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.407 ' NH1' ' CE2' ' A' ' 55' ' ' PHE . 14.1 ttp180 -107.22 105.43 15.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 30' ' ' TYR . 11.2 t0 -100.37 -172.43 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.7 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 96' ' ' ILE . 18.7 p90 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.485 0.184 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.81 144.83 25.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.625 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 40.6 m95 -101.79 150.61 22.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 107.948 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' ' 92' ' ' ILE . 41.0 m-85 -134.53 134.92 41.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 20.8 p90 -116.35 140.83 48.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.62 110.39 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.14 -169.3 21.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -61.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -58.25 -40.17 81.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.01 -70.97 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -131.27 127.62 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.449 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 4.3 m95 -113.49 145.02 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 107.992 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -86.81 162.53 17.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -90.44 -170.43 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.32 -69.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 175.69 -51.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -71.61 -54.52 10.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -41.17 -46.57 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.45 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.569 ' HA ' HD12 ' A' ' 51' ' ' LEU . 77.5 p -70.79 -44.14 67.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -48.12 -33.61 8.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -75.49 -31.66 60.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 48' ' ' SER . 62.4 mt -61.58 -44.93 96.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.59 -63.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -41.44 -45.39 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.45 -64.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -43.21 -48.05 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.58 -62.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -44.51 -33.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LYS . . . 120.73 -8.68 10.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.685 ' O ' HD23 ' A' ' 75' ' ' LEU . 8.9 mttp -51.92 94.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 0.805 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -42.21 -28.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.803 ' HA ' HD22 ' A' ' 75' ' ' LEU . 15.5 p30 -163.11 148.11 11.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.3 t -124.86 144.2 50.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.484 ' HG3' HG13 ' A' ' 72' ' ' VAL . 7.4 mp0 -94.77 126.6 40.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.674 ' O ' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -118.59 166.94 12.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.9 tp -124.83 107.2 10.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.569 HG22 ' N ' ' A' ' 67' ' ' ALA . 19.8 mm -87.29 170.9 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.569 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -42.77 92.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 52.83 47.93 58.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -164.56 99.91 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.899 HD13 ' HD2' ' A' ' 83' ' ' ARG . 0.9 OUTLIER -67.38 121.31 15.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CD2' HG13 ' A' ' 66' ' ' ILE . 9.9 m-85 -121.09 165.71 14.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.5 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 23.0 t -133.66 121.11 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.56 ' HB2' ' SD ' ' A' ' 64' ' ' MET . . . -101.56 120.93 41.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.489 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 42.8 t0 -104.71 125.55 50.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.803 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.3 OUTLIER -92.3 -33.88 14.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.9 mt-10 -51.33 -43.45 61.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 78' ' ' MET . 3.4 m-80 -102.1 -8.95 20.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.408 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 62.69 49.13 3.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.469 ' N ' HG12 ' A' ' 92' ' ' ILE . 2.9 m -139.13 178.5 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 5.0 mt-30 -143.96 119.0 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.5 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 9.2 p90 -128.4 143.57 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -49.8 165.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.899 ' HD2' HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -83.63 -53.64 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.07 -44.74 16.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -102.81 78.19 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -55.19 -28.78 55.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.54 -54.11 11.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.102 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 14.1 mtp-105 -71.52 111.89 7.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.501 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -153.44 173.34 15.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.68 169.3 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -88.26 135.2 33.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.512 HD12 ' CE3' ' A' ' 32' ' ' TRP . 6.7 pt -124.37 147.71 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.5 137.21 28.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.414 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 25.6 ttp180 -95.83 111.25 23.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.65 145.9 47.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 13.7 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.7 p90 . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.456 0.17 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.453 ' HB1' ' CD ' ' A' ' 42' ' ' GLN . . . -131.73 150.38 52.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.555 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 58.7 m95 -94.0 136.02 34.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 42' ' ' GLN . 14.8 m-85 -124.39 154.3 40.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CB ' HG22 ' A' ' 92' ' ' ILE . 17.0 p90 -141.05 141.62 34.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 39' ' ' GLY . 0.7 OUTLIER -46.61 116.98 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.12 -157.23 10.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -64.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -56.04 -44.6 78.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . 174.92 -70.63 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -132.26 118.38 19.41 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -106.82 145.9 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 107.981 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.514 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -90.63 132.35 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.676 ' OH ' HG21 ' A' ' 92' ' ' ILE . 60.9 m-85 -50.47 178.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 33.4 m-20 -64.18 -74.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 7.0 tt0 165.99 -28.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 47' ' ' THR . 5.0 ptp180 -80.78 -31.71 35.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.496 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 1.5 m -69.75 -60.74 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -39.79 -42.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -40.31 -29.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 48' ' ' SER . 41.1 mm-40 -94.36 -37.53 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HB3' ' CD2' ' A' ' 32' ' ' TRP . 3.9 mp -52.88 -46.81 68.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 11.3 pt-20 -71.2 -52.7 17.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.432 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 2.7 m-20 -48.65 -56.61 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 59' ' ' LYS . . . -56.69 -66.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -38.26 -36.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.9 t -80.22 -61.27 2.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -45.45 -43.26 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.21 -16.98 4.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.662 ' O ' HD23 ' A' ' 75' ' ' LEU . 41.4 mttm -44.4 105.13 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.99 -23.58 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.798 ' HA ' HD22 ' A' ' 75' ' ' LEU . 20.0 p30 -164.51 150.0 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.9 t -128.37 148.02 50.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -90.2 166.84 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.641 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -164.8 114.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.002 HD13 HD12 ' A' ' 70' ' ' LEU . 8.4 tp -84.97 102.0 12.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.961 HD12 ' CD2' ' A' ' 71' ' ' TYR . 3.6 mt -90.01 -177.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.8 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -38.55 93.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 42.51 47.41 5.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.488 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.5 m-85 -155.46 105.69 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.002 HD12 HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -73.4 109.63 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.961 ' CD2' HD12 ' A' ' 66' ' ' ILE . 14.5 m-85 -109.89 159.47 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.528 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 47.0 t -136.78 116.13 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.641 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -99.9 121.14 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.537 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 43.6 t0 -101.88 133.81 46.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.798 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.3 OUTLIER -94.42 -36.46 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -43.72 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -101.7 -9.31 20.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.49 55.33 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.543 HG23 ' N ' ' A' ' 80' ' ' GLN . 1.0 OUTLIER -146.53 -170.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.543 ' N ' HG23 ' A' ' 79' ' ' VAL . 2.9 pt20 -156.59 122.18 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.528 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 11.6 p90 -123.6 157.61 33.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -72.9 128.59 35.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.481 ' HG2' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -47.09 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.67 -58.56 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -102.53 102.31 12.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.494 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 5.2 t-160 -69.23 -25.98 64.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.595 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.16 -63.07 3.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.03 115.88 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.457 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 2.8 ptm180 -163.42 160.49 23.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.62 165.89 26.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -88.22 143.75 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.676 HG21 ' OH ' ' A' ' 43' ' ' TYR . 19.8 pt -120.66 161.94 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -154.07 141.31 19.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -91.25 114.35 26.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -107.52 173.82 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 30' ' ' TYR . 1.9 p90 . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.513 0.197 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -166.8 149.12 6.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.587 ' CH2' HD22 ' A' ' 75' ' ' LEU . 48.5 m95 -102.18 149.27 24.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 107.994 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.494 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 31.6 m-85 -131.58 150.0 52.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 9.6 p90 -135.58 147.0 48.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.481 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -37.6 136.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.87 -171.07 13.95 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.83 -32.09 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -101.04 -47.13 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -155.13 -101.76 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -117.74 131.21 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.485 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 10.0 m95 -109.5 140.11 43.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -90.76 155.62 18.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.541 ' CE2' ' CD1' ' A' ' 51' ' ' LEU . 49.0 m-85 -78.89 -176.58 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -77.98 -66.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 177.36 -36.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -79.47 -53.89 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.5 m -47.14 -38.38 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.3 p -74.92 -42.45 57.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -24.05 17.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -90.56 -20.87 22.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.619 HD23 HG21 ' A' ' 62' ' ' THR . 77.1 mt -75.69 -38.6 58.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.58 -54.99 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -45.62 -49.54 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.25 -68.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -40.19 -45.0 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -66.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -41.37 -43.72 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.36 -11.41 5.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -59.64 111.93 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -63.31 -46.45 86.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.68 151.26 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.619 HG21 HD23 ' A' ' 51' ' ' LEU . 4.8 t -140.69 119.88 12.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -81.95 126.25 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.558 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -130.58 125.69 34.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.995 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.9 tp -87.61 115.2 24.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.693 HG22 ' H ' ' A' ' 67' ' ' ALA . 4.9 mm -97.77 176.46 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.693 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -40.84 93.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 46.98 47.32 19.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -160.87 101.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.629 HD13 ' HD2' ' A' ' 83' ' ' ARG . 0.7 OUTLIER -69.21 124.87 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.564 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.3 m-85 -124.81 163.53 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.405 ' CG2' ' HG3' ' A' ' 83' ' ' ARG . 98.7 t -138.62 115.07 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.558 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -90.87 115.41 27.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.476 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 7.8 t0 -99.79 107.96 20.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.587 HD22 ' CH2' ' A' ' 32' ' ' TRP . 15.7 mt -75.7 -28.1 58.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.36 -47.64 56.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.083 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.453 ' O ' HG13 ' A' ' 79' ' ' VAL . 21.4 m120 -101.61 -5.64 24.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 tpt 66.43 38.62 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.533 HG12 ' HG2' ' A' ' 91' ' ' LYS . 0.9 OUTLIER -145.54 147.53 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.72 137.89 51.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 3.3 p90 -133.23 150.7 51.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -59.88 135.51 57.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.629 ' HD2' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -52.16 -57.51 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -81.71 -49.81 10.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 2.7 tt0 -89.47 72.73 7.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -53.86 -34.5 59.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.586 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.78 -50.76 25.38 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -72.54 113.3 9.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.87 166.92 29.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.48 156.4 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.533 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -74.81 153.14 38.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.439 HD11 HD23 ' A' ' 75' ' ' LEU . 6.8 pt -132.63 152.99 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -155.28 135.15 12.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -93.37 121.85 35.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.01 175.16 9.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 1.1 mm . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.407 ' CE1' ' CB ' ' A' ' 52' ' ' GLU . 33.7 p90 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.494 0.188 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.98 153.98 21.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.933 ' CH2' HD22 ' A' ' 75' ' ' LEU . 37.8 m95 -112.08 152.52 28.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 92' ' ' ILE . 37.7 m-85 -133.43 155.13 50.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 41' ' ' TRP . 21.5 p90 -137.83 136.35 37.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -37.91 109.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.434 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -100.24 -158.82 28.16 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -82.24 -45.75 14.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 0.735 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -77.88 -41.19 37.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.73 -81.84 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -128.64 118.74 23.44 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.554 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 4.6 m95 -98.1 143.92 28.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.3 tt0 -94.08 121.89 36.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 90.6 m-85 -42.25 -61.93 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.8 t0 174.11 -78.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -178.78 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -81.27 -60.31 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.2 m -45.87 -38.03 6.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 p -77.27 -36.31 54.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -20.54 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -91.14 -34.31 15.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.424 HD23 HG21 ' A' ' 62' ' ' THR . 58.6 mt -60.77 -35.75 77.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.407 ' CB ' ' CE1' ' A' ' 30' ' ' TYR . 3.7 tp10 -71.93 -55.33 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -47.44 52.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.2 -70.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.689 ' HB2' HD13 ' A' ' 75' ' ' LEU . 13.8 t80 -45.85 -30.66 1.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.1 t -77.86 -63.35 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -44.56 -40.8 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.96 -13.62 3.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -66.63 111.31 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.622 ' O ' HD12 ' A' ' 75' ' ' LEU . 69.3 mmtt -76.68 -46.12 26.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.18 114.56 28.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.424 HG21 HD23 ' A' ' 51' ' ' LEU . 9.0 t -115.37 119.55 36.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 72' ' ' VAL . 2.1 mp0 -91.45 137.17 32.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.588 ' HE1' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -130.97 123.77 29.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.98 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 70' ' ' LEU . 8.4 tt -86.76 101.18 13.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.569 HG22 ' N ' ' A' ' 67' ' ' ALA . 39.8 mm -78.95 170.07 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.569 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -45.92 90.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 59.37 44.7 96.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.456 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -160.09 96.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.632 ' CD2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -67.55 107.53 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.614 ' CE1' ' CG ' ' A' ' 82' ' ' ARG . 9.2 m-85 -107.61 156.08 19.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 27.4 t -131.91 124.66 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.588 ' HB2' ' HE1' ' A' ' 64' ' ' MET . . . -107.36 111.07 23.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.9 116.47 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.933 HD22 ' CH2' ' A' ' 32' ' ' TRP . 2.8 mt -88.55 -32.11 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.486 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -57.05 -39.64 75.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -101.36 -2.91 29.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.46 42.19 24.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.853 HG22 ' HA ' ' A' ' 91' ' ' LYS . 2.7 t -142.16 167.52 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.557 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 9.3 pt20 -137.86 134.21 34.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.401 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 8.3 p90 -139.87 156.95 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.614 ' CG ' ' CE1' ' A' ' 71' ' ' TYR . 26.6 mtt180 -81.61 138.49 35.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -59.1 5.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.8 -51.67 60.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -95.58 70.12 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -43.52 -41.74 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.567 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.01 -58.16 11.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.596 1.185 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.81 110.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 3.6 ptm180 -159.08 174.31 15.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -169.08 156.24 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.853 ' HA ' HG22 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -69.33 153.89 42.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.432 HD12 ' CZ3' ' A' ' 32' ' ' TRP . 3.5 pt -138.47 147.68 25.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -147.68 135.55 21.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.488 ' NH1' ' CE1' ' A' ' 55' ' ' PHE . 31.9 ttp180 -93.48 122.82 36.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.71 169.2 15.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.603 ' CE2' ' HD2' ' A' ' 94' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.521 0.2 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -158.9 127.96 5.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.499 ' CE2' ' HB2' ' A' ' 94' ' ' ARG . 29.6 m95 -105.65 137.04 44.17 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.482 ' HB2' ' CG ' ' A' ' 93' ' ' LYS . 33.4 m-85 -115.95 159.42 21.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 28.8 p90 -137.85 154.88 49.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -44.13 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.535 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -98.28 163.4 21.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -47.48 66.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.1 -32.24 64.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.79 -67.75 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -135.15 131.93 37.42 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.535 ' CD1' ' HA3' ' A' ' 36' ' ' GLY . 9.2 m95 -121.45 136.34 54.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 107.989 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -75.28 149.98 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.514 ' OH ' HG22 ' A' ' 92' ' ' ILE . 33.2 m-85 -80.96 -175.32 5.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 3.2 t70 -73.0 -86.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 44' ' ' ASP . 10.3 tt0 177.54 -33.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 49' ' ' ARG . 14.0 ptp180 -67.86 -38.41 83.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.47 ' O ' HD13 ' A' ' 51' ' ' LEU . 1.7 m -74.91 -64.88 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.681 ' HA ' HD22 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -39.98 -33.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -49.91 -30.16 9.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.429 ' CG ' HD12 ' A' ' 51' ' ' LEU . 6.1 pt-20 -94.63 -36.19 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 48' ' ' SER . 2.8 mp -48.05 -50.59 27.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 12.6 pt-20 -68.97 -52.76 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 5.9 m-20 -42.65 -59.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.49 ' HB1' ' HB2' ' A' ' 59' ' ' LYS . . . -60.09 -67.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.543 ' HB2' HD13 ' A' ' 75' ' ' LEU . 35.3 t80 -37.31 -52.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -66.22 -61.86 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -41.73 -36.45 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.95 -10.16 8.93 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.49 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 9.7 mttm -46.8 148.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -54.91 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -121.35 152.83 38.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -147.21 121.02 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 72' ' ' VAL . 6.5 pt-20 -94.63 135.55 35.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.517 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -126.95 152.68 46.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.686 HD13 HD22 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -103.23 101.75 11.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.603 HG22 ' H ' ' A' ' 67' ' ' ALA . 16.4 mm -87.15 173.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.603 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -39.08 92.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 46.48 49.93 14.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.433 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 1.5 m-85 -159.48 113.33 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.686 HD22 HD13 ' A' ' 65' ' ' LEU . 4.5 mm? -76.33 115.69 16.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.521 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.0 m-85 -116.35 152.75 33.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 90.9 t -129.78 112.88 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.517 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -99.22 111.43 23.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -99.2 119.41 37.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 55' ' ' PHE . 50.8 mt -82.93 -30.88 28.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -47.19 42.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 78' ' ' MET . 17.2 m120 -100.84 -9.12 21.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.431 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 65.28 47.07 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.416 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.5 m -150.94 149.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.436 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 2.0 pt20 -117.84 132.81 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.442 ' CE1' ' CG1' ' A' ' 72' ' ' VAL . 1.7 p90 -130.19 155.71 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -62.48 127.47 31.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.461 ' HG3' ' CG2' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -45.34 -67.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -63.85 -59.81 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -88.29 85.06 6.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -59.44 -24.11 63.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.575 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.61 -62.74 4.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 17.7 mtp180 -61.24 112.31 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.426 ' HA ' ' HA ' ' A' ' 81' ' ' TYR . 1.4 ptt-85 -147.71 152.92 38.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.2 mtm-85 -143.12 150.25 39.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.28 154.88 41.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.514 HG22 ' OH ' ' A' ' 43' ' ' TYR . 4.8 pt -140.63 155.71 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.482 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -152.18 159.87 43.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.603 ' HD2' ' CE2' ' A' ' 30' ' ' TYR . 9.4 ttp-105 -119.5 134.01 55.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -148.89 165.22 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.8 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 16.8 p90 . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.44 0.162 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.13 141.77 51.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.525 ' CH2' HD22 ' A' ' 75' ' ' LEU . 65.5 m95 -89.75 149.84 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 20.3 m-85 -135.79 145.96 47.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.503 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 16.1 p90 -138.86 129.54 26.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 39' ' ' GLY . 2.1 tt0 -44.73 145.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.32 -130.02 2.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.08 -56.54 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -70.69 -59.28 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . -156.7 -93.24 0.1 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -121.25 149.08 43.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 7.4 m95 -120.5 144.7 47.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.58 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -98.56 120.29 38.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.452 ' OH ' ' NE2' ' A' ' 80' ' ' GLN . 93.2 m-85 -49.09 179.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 27.1 t0 -83.68 -64.82 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 3.4 tt0 163.54 -27.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -71.05 -43.79 67.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.472 HG22 HD11 ' A' ' 51' ' ' LEU . 2.3 m -70.19 -63.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.506 ' HA ' HD22 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -38.56 -44.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.049 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.59 -28.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 48' ' ' SER . 5.0 mm-40 -94.87 -36.75 11.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 48' ' ' SER . 3.8 mp -50.63 -44.22 57.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 1.3 tm-20 -76.57 -51.26 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -48.52 -44.4 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.468 ' CB ' ' HB ' ' A' ' 62' ' ' THR . . . -70.51 -61.83 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 3.2 t80 -37.05 -35.95 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 t -88.66 -54.63 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -40.95 -46.86 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.76 -5.96 16.19 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.125 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 61' ' ' ASN . 17.7 mttt -54.02 -28.16 36.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 0.8 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER 66.45 -58.26 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 59' ' ' LYS . 1.1 m120 -102.31 113.41 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.468 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 9.1 t -108.08 123.97 49.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.68 124.18 33.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . 0.788 ' HE1' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -120.65 143.96 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.552 HD13 HD22 ' A' ' 70' ' ' LEU . 2.5 tp -118.49 110.24 17.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.839 HD12 ' CD2' ' A' ' 71' ' ' TYR . 4.3 mt -94.65 -179.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.772 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -41.33 92.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 48.45 46.65 29.23 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.414 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -145.28 114.65 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 0.723 . . . . 0.0 110.959 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.552 HD22 HD13 ' A' ' 65' ' ' LEU . 4.6 mm? -81.26 108.45 14.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.839 ' CD2' HD12 ' A' ' 66' ' ' ILE . 15.8 m-85 -119.5 151.87 37.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.8 t -136.19 116.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.788 ' HB2' ' HE1' ' A' ' 64' ' ' MET . . . -95.2 114.14 25.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.442 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 24.1 t0 -98.07 104.07 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.525 HD22 ' CH2' ' A' ' 32' ' ' TRP . 7.6 mt -74.47 -30.55 61.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -50.09 -44.77 52.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.427 ' O ' HG13 ' A' ' 79' ' ' VAL . 21.0 m-80 -101.35 -8.09 22.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.4 tpt 68.36 36.09 3.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.657 HG12 ' HG2' ' A' ' 91' ' ' LYS . 1.3 m -142.48 147.32 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.482 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 2.3 pt20 -114.73 133.52 55.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 4.5 p90 -130.6 156.32 45.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' HG3' ' CB ' ' A' ' 88' ' ' ARG . 39.6 mtt180 -73.02 135.46 44.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.452 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 1.5 ttt180 -55.59 -56.68 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -73.28 -47.15 45.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -93.52 60.25 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -41.61 -30.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.598 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.39 -57.02 20.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.439 ' CB ' ' HG3' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -60.85 117.74 5.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.413 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 21.3 ptt180 -157.2 167.64 29.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.71 158.98 43.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.657 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -83.12 135.13 34.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.504 HD11 HD23 ' A' ' 75' ' ' LEU . 23.1 pt -112.27 160.93 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -154.05 163.64 39.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -118.34 111.36 18.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -105.34 170.53 7.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.5 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 111.017 -0.417 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 p -128.4 166.03 19.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -166.14 170.48 13.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.72 140.59 5.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 m -131.25 -58.58 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 0.777 . . . . 0.0 109.986 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.79 -58.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.48 -163.44 14.15 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -133.43 173.69 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 mp -123.8 -66.52 0.99 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 60.42 155.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 0.4 OUTLIER -156.17 140.74 11.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.274 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 18.4 Cg_endo -74.95 178.76 6.82 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.451 1.764 . . . . 0.0 111.032 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -95.64 148.13 22.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tp -155.67 24.04 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mp 61.32 171.82 0.11 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 59.5 p -64.2 158.19 65.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -8.62 20.24 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.427 1.751 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.38 -43.14 9.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -33.36 63.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' C ' ' N ' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -81.12 -51.39 8.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.08 -28.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.407 ' N ' ' C ' ' A' ' 20' ' ' LEU . . . -43.77 -62.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 25' ' ' ARG . . . -91.47 -47.69 7.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -39.22 -30.24 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.982 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' N ' ' C ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -47.06 -66.63 0.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 110.258 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.23 -33.37 8.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.33 -6.14 41.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 0.733 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -75.61 -91.45 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 96' ' ' ILE . 0.7 OUTLIER -168.81 -167.5 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 110.337 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 8.1 p90 -126.62 168.5 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 111.023 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.586 ' HB3' ' CG1' ' A' ' 97' ' ' ILE . . . -161.76 155.09 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.648 ' CH2' HD22 ' A' ' 75' ' ' LEU . 38.7 m95 -100.09 144.11 29.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 107.999 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 13.6 m-85 -124.26 127.08 47.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.405 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 28.6 p90 -107.79 136.88 46.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -48.34 144.1 4.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -143.4 -142.84 4.02 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.48 -68.43 0.69 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -55.41 -50.7 69.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.07 -79.76 0.05 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.47 1.106 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -129.83 152.45 49.3 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.405 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 23.4 m95 -130.69 144.92 51.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 108.001 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.498 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 1.1 tt0 -89.02 135.87 33.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -62.48 -170.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.97 -68.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 178.29 -44.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.302 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -80.31 -50.5 10.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 m -44.53 -31.9 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.354 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.8 p -84.09 -38.58 20.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.03 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -49.54 -22.86 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.344 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -86.89 -38.7 16.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.0 mt -62.21 -30.93 71.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.563 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -84.36 -49.79 8.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.28 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.26 -48.79 67.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.39 -59.73 4.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.788 ' HB2' HD13 ' A' ' 75' ' ' LEU . 9.8 t80 -48.44 -51.19 28.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.0 t -62.42 -60.83 2.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -41.2 -39.5 1.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.9 -8.48 6.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -57.51 140.16 51.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 0.75 . . . . 0.0 109.256 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.415 ' HB3' ' CG ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -95.76 -47.25 6.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -122.23 123.62 41.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.8 t -117.43 132.07 56.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -96.32 130.82 43.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.404 1.065 . . . . 0.0 110.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.635 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 6.9 ptp -123.44 146.62 47.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.559 1.162 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.592 HD13 HD22 ' A' ' 70' ' ' LEU . 1.5 tp -117.4 106.43 13.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.7 HG22 ' H ' ' A' ' 67' ' ' ALA . 3.8 mt -87.77 177.58 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.7 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -42.54 92.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 51.59 46.91 53.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.665 ' CD1' ' CE2' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -149.33 106.93 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 111.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.592 HD22 HD13 ' A' ' 65' ' ' LEU . 4.6 mm? -76.2 107.95 8.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.665 ' CE2' ' CD1' ' A' ' 69' ' ' PHE . 15.6 m-85 -118.86 153.28 34.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.538 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 21.4 t -132.04 119.34 40.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.635 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -102.8 126.34 49.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.78 117.02 32.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.788 HD13 ' HB2' ' A' ' 55' ' ' PHE . 18.3 mt -79.51 -25.17 41.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.415 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 1.8 mm-40 -51.91 -49.27 63.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -101.46 -4.93 25.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.69 48.44 3.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 m -142.06 -174.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 7.3 pt20 -153.08 126.81 8.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.538 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 3.5 p90 -123.73 155.81 37.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.554 ' NH1' ' CD1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -67.93 131.4 45.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.493 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -44.34 -59.04 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.579 1.174 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -81.58 -49.22 10.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -85.21 78.72 9.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.344 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -57.48 -33.32 67.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.83 -56.87 21.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.111 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -64.51 112.5 3.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 110.316 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.434 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 10.3 ptt180 -159.27 158.27 32.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.282 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 mtp180 -140.66 168.2 20.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -88.87 157.68 18.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 18.9 pt -135.42 147.07 29.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -145.65 134.35 22.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -85.69 118.19 25.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.283 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -118.78 161.61 19.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.533 ' O ' HD13 ' A' ' 97' ' ' ILE . 22.3 mt -90.87 137.17 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.586 ' CG1' ' HB3' ' A' ' 31' ' ' ALA . 35.8 mm -123.03 169.28 14.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.564 ' N ' HG22 ' A' ' 97' ' ' ILE . 2.8 p30 -113.65 83.08 1.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.653 HG23 ' HD2' ' A' ' 100' ' ' PRO . 21.5 mm -105.77 141.56 22.94 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 99' ' ' ILE . 18.3 Cg_endo -74.98 64.4 6.03 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.5 1.789 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.82 -69.06 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -40.65 -53.05 2.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -43.34 -66.35 1.24 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.57 1.169 . . . . 0.0 111.052 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.638 ' O ' HG23 ' A' ' 104' ' ' VAL . 30.9 m -78.21 77.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.261 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 45.3 m -63.86 153.12 37.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.954 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.59 76.51 0.2 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 167.53 26.86 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.505 1.792 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.98 167.83 20.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.043 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.0 m -73.08 143.34 47.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -176.69 147.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t 66.73 160.15 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.56 174.19 42.83 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.4 p -136.35 170.69 15.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 0.773 . . . . 0.0 109.977 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -133.75 -59.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.023 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.81 177.42 42.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -177.34 133.4 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 0.776 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -169.12 150.96 4.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -176.71 147.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.263 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -152.86 90.51 3.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 177.46 8.57 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 m -81.51 160.95 23.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.359 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mt -118.23 109.57 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.353 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp 174.36 178.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.29 168.76 17.53 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -15.57 20.72 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.539 1.81 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -88.88 -47.97 7.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -45.21 -48.51 12.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.46 -58.39 8.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.138 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -45.63 -61.45 1.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -44.63 -65.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.83 -51.14 17.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.356 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.2 m -53.19 -39.24 63.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.4 mtp-105 -69.71 -13.03 62.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.256 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.41 -62.24 2.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.77 -64.58 1.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 0.755 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.01 81.61 1.53 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -114.96 104.2 11.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 0.752 . . . . 0.0 110.304 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.465 ' CD2' ' HG3' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -37.77 134.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.4 ' CB ' HD11 ' A' ' 97' ' ' ILE . . . -156.55 119.64 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.837 ' CH2' HD22 ' A' ' 75' ' ' LEU . 27.6 m95 -88.95 127.33 35.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.013 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -112.23 160.44 17.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 21.6 p90 -143.53 147.79 35.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -42.29 120.55 1.66 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.416 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -115.06 -160.33 12.73 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.575 1.172 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.74 -65.7 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.307 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -66.52 -44.48 82.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -159.44 -106.36 0.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.54 1.15 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -113.34 129.67 56.47 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.555 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 10.4 m95 -101.82 150.88 22.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 108.056 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.37 164.03 12.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -90.31 178.34 6.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.73 -65.86 0.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 176.95 -51.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 47' ' ' THR . 18.5 mtm180 -67.91 -53.2 28.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.341 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 46' ' ' ARG . 3.3 m -38.43 -45.69 1.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 51' ' ' LEU . 70.6 p -70.54 -48.26 56.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -46.61 -25.8 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.278 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -89.02 -34.76 16.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.513 HD23 HG21 ' A' ' 62' ' ' THR . 89.2 mt -62.16 -47.4 84.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HG3' ' CD2' ' A' ' 30' ' ' TYR . 7.6 tm-20 -64.2 -58.22 7.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.45 -52.47 13.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.92 -70.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.658 ' HB2' HD13 ' A' ' 75' ' ' LEU . 11.0 t80 -38.34 -49.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.7 t -65.2 -60.57 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -45.03 -44.31 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.14 -17.82 4.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -49.91 100.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 0.772 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm -60.3 -42.61 95.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -123.68 119.67 30.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.513 HG21 HD23 ' A' ' 51' ' ' LEU . 9.9 t -108.79 121.78 45.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -87.48 128.7 35.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.64 ' SD ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -126.46 130.05 49.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.608 HD13 HD22 ' A' ' 70' ' ' LEU . 2.3 tp -98.1 103.76 15.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.568 HG22 ' N ' ' A' ' 67' ' ' ALA . 14.5 mm -80.57 169.71 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.568 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -45.84 91.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 58.67 44.76 95.49 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.511 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 6.1 m-85 -155.78 100.97 2.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 0.772 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.608 HD22 HD13 ' A' ' 65' ' ' LEU . 4.6 mm? -68.11 111.08 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.553 ' CD2' HG13 ' A' ' 66' ' ' ILE . 10.6 m-85 -118.07 152.96 34.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.555 ' CG1' ' CE1' ' A' ' 81' ' ' TYR . 66.9 t -134.47 115.18 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.64 ' HB2' ' SD ' ' A' ' 64' ' ' MET . . . -94.65 111.23 23.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.442 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.7 t0 -96.85 110.97 23.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.837 HD22 ' CH2' ' A' ' 32' ' ' TRP . 43.6 mt -77.44 -32.77 54.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 0.2 OUTLIER -47.19 -46.62 23.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.56 ' HB2' HG22 ' A' ' 79' ' ' VAL . 31.3 m120 -102.42 -4.87 24.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.419 ' CE ' ' HA ' ' A' ' 93' ' ' LYS . 0.0 OUTLIER 63.61 36.19 11.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.581 HG12 ' HG2' ' A' ' 91' ' ' LYS . 17.2 m -138.54 146.83 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 3.3 pt20 -113.47 126.09 54.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.555 ' CE1' ' CG1' ' A' ' 72' ' ' VAL . 5.2 p90 -123.69 153.77 40.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.28 131.8 46.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.48 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 0.9 OUTLIER -45.13 -63.46 0.93 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.269 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -68.53 -57.73 5.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -86.65 82.83 7.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -59.57 -33.47 71.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.586 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.83 -54.91 26.04 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.51 1.131 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -65.21 111.07 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -151.49 163.13 39.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 mmt-85 -142.77 152.48 42.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.581 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -70.54 150.78 45.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.486 HD12 ' HZ3' ' A' ' 32' ' ' TRP . 6.1 pt -138.51 152.19 24.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HA ' ' CE ' ' A' ' 78' ' ' MET . 0.7 OUTLIER -151.06 162.39 40.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.577 ' HD3' ' CZ2' ' A' ' 32' ' ' TRP . 3.1 ttp-105 -110.97 114.85 28.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -122.2 178.96 4.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.576 1.173 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 pt -136.51 128.72 44.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.4 HD11 ' CB ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -94.22 -169.83 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.275 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -131.3 74.2 1.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.655 HG23 ' HD2' ' A' ' 100' ' ' PRO . 30.1 mm -117.13 141.0 27.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.655 ' HD2' HG23 ' A' ' 99' ' ' ILE . 18.3 Cg_endo -75.01 54.66 3.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.477 1.778 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.72 -68.11 0.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.661 ' O ' HG23 ' A' ' 104' ' ' VAL . 2.9 tttm -41.31 -36.14 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 105' ' ' SER . . . -48.62 -55.18 11.45 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 102' ' ' LYS . 46.1 t 68.02 -68.87 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.735 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 103' ' ' GLY . 8.7 p 172.88 -37.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.951 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 144.92 143.28 3.97 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 141.62 26.88 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.526 1.803 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.9 p -112.0 172.25 7.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.952 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 86.5 p -117.42 159.97 21.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.013 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.103 . . . . 0.0 111.005 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.76 158.95 4.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 178.59 170.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.015 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.06 172.77 35.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 p -170.75 168.42 7.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 0.737 . . . . 0.0 109.946 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.1 p -176.96 167.0 2.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.024 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.74 132.81 1.74 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -174.87 150.5 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tt -156.29 93.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -175.37 125.74 0.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 109.364 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.46 70.02 39.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -169.38 0.62 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.476 1.777 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.557 HG23 ' H ' ' A' ' 14' ' ' LEU . 1.7 t -156.6 -58.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.557 ' H ' HG23 ' A' ' 13' ' ' THR . 0.4 OUTLIER 61.33 -178.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mt -62.77 178.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.71 164.95 56.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -22.18 15.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.3 -44.73 19.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.3 -52.55 58.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' LYS . 0.2 OUTLIER -47.08 -59.68 2.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' LEU . 39.4 mttt -40.42 -56.02 2.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.82 -58.63 7.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -45.18 -45.5 11.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.35 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -45.37 -42.79 10.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -49.55 -22.25 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.334 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.81 -67.53 1.4 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.71 -63.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.97 93.45 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 13.3 mm-40 -134.13 -175.26 3.8 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 0.748 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 52' ' ' GLU . 4.5 p90 -98.88 137.2 37.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.663 ' HB3' HG13 ' A' ' 97' ' ' ILE . . . -139.09 147.24 41.72 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.671 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 52.1 m95 -101.18 153.73 19.35 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 19.2 m-85 -143.87 129.77 19.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 23.9 p90 -105.35 142.77 34.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.48 112.7 0.58 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.7 176.04 16.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.127 . . . . 0.0 111.044 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.65 -61.33 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 0.798 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -56.87 -25.48 56.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.53 -65.04 0.38 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 79.5 m95 -139.79 136.96 34.62 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.423 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 14.4 m95 -125.21 147.67 48.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.8 tt0 -90.88 161.68 15.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -90.77 -174.21 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.972 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.17 -77.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -178.8 -47.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.123 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 49' ' ' ARG . 15.2 mmt180 -77.88 -54.85 5.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 m -40.94 -31.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.429 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 51.7 p -85.34 -43.15 13.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.988 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' ARG . 3.9 mtt-85 -49.89 -27.82 5.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -80.44 -31.32 37.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.8 mt -60.22 -40.42 90.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 3.3 tp10 -69.89 -58.96 3.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.335 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -42.62 -46.78 5.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB1' ' HB2' ' A' ' 59' ' ' LYS . . . -69.46 -53.8 17.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.432 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 22.9 t80 -49.59 -44.25 46.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 110.975 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.9 t -72.43 -62.11 1.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -40.43 -35.48 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.66 -9.82 7.64 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.69 ' O ' HD23 ' A' ' 75' ' ' LEU . 27.1 mttm -53.86 97.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.415 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 1.8 mptt -50.09 -23.19 1.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.777 ' HA ' HD22 ' A' ' 75' ' ' LEU . 19.3 p30 -166.15 154.53 10.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.425 1.078 . . . . 0.0 109.282 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.9 t -131.09 150.5 52.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.081 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -98.95 127.26 44.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.508 ' HE2' ' NE2' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -122.02 152.73 39.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.746 ' CD1' HD22 ' A' ' 70' ' ' LEU . 2.0 tp -116.78 105.17 12.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.642 HG22 ' H ' ' A' ' 67' ' ' ALA . 6.6 mm -86.81 174.38 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.642 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -40.42 92.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 48.71 49.23 28.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.496 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 5.0 m-85 -155.36 111.21 3.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 0.759 . . . . 0.0 111.027 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.746 HD22 ' CD1' ' A' ' 65' ' ' LEU . 4.6 mm? -73.0 113.22 9.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.593 ' CE1' ' HG2' ' A' ' 82' ' ' ARG . 11.6 m-85 -121.6 156.95 31.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.571 1.169 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.57 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 74.9 t -136.11 123.9 35.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.516 ' CB ' ' CG ' ' A' ' 80' ' ' GLN . . . -101.62 131.68 47.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.476 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 31.5 t0 -115.17 124.2 50.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.777 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -91.35 -35.72 14.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.3 mt-10 -49.16 -45.51 43.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.402 ' O ' HG13 ' A' ' 79' ' ' VAL . 85.1 m-20 -102.65 -10.48 19.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.407 ' HB3' ' O ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER 62.73 53.63 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.46 ' CA ' HG12 ' A' ' 92' ' ' ILE . 3.1 m -149.64 143.93 17.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.516 ' CG ' ' CB ' ' A' ' 73' ' ' ALA . 3.0 mt-30 -109.53 121.38 45.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.345 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 6.1 p90 -126.53 148.44 49.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.593 ' HG2' ' CE1' ' A' ' 71' ' ' TYR . 1.3 mmt85 -59.44 140.36 56.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.503 ' HD3' HD12 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -49.85 -47.82 51.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -97.18 -55.21 2.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 4.9 mm-40 -69.56 57.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.436 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 3.3 t-160 -44.56 -31.36 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.649 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.44 -44.9 97.14 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.29 110.72 12.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 0.787 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.481 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 26.7 ptt85 -158.84 165.03 35.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 89' ' ' ARG . 3.2 mmt-85 -142.55 163.06 33.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.43 ' HG2' HG12 ' A' ' 79' ' ' VAL . 10.5 mttt -81.76 131.61 35.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.46 HG12 ' CA ' ' A' ' 79' ' ' VAL . 30.7 pt -117.68 144.1 26.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -137.62 165.72 25.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 94' ' ' ARG . 0.0 OUTLIER -123.28 122.77 39.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -128.55 169.04 14.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.932 ' O ' HD13 ' A' ' 97' ' ' ILE . 6.1 mm -89.77 132.12 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.932 HD13 ' O ' ' A' ' 96' ' ' ILE . 1.6 mm -143.3 -142.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.567 ' H ' HG22 ' A' ' 97' ' ' ILE . 0.2 OUTLIER 77.38 120.25 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.564 HD11 ' HB2' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -123.1 161.89 42.34 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.95 4.43 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.564 ' HB2' HD11 ' A' ' 99' ' ' ILE . 0.0 OUTLIER -97.28 -69.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -96.51 -53.88 3.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 105' ' ' SER . . . -47.71 -59.18 6.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t 65.39 -76.67 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 0.771 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 103' ' ' GLY . 0.2 OUTLIER -131.19 153.52 49.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.007 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -100.83 121.95 7.42 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 177.61 8.37 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.3 p -159.77 147.25 16.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.98 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.1 p -175.99 172.58 2.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.968 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.962 -0.438 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -174.32 160.46 3.27 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -172.61 151.87 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.8 177.68 18.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.575 1.172 . . . . 0.0 110.983 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 p 176.23 90.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 110.021 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -173.26 141.61 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.021 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.47 93.85 0.1 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 54.13 106.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -160.28 78.62 0.66 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -100.82 -60.62 1.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.16 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -174.56 64.0 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 18.1 Cg_endo -75.03 66.63 6.05 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.462 1.77 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.856 ' O ' HD22 ' A' ' 14' ' ' LEU . 8.9 t -136.6 -178.56 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.44 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.856 HD22 ' O ' ' A' ' 13' ' ' THR . 1.0 OUTLIER -144.68 -164.78 1.99 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.7 mt -66.09 176.45 1.7 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -91.96 163.82 26.04 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.963 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.45 21.43 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.481 1.779 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -84.73 -47.11 10.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.303 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.45 -25.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.02 -69.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -30.24 70.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.31 -40.33 67.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.19 -50.99 35.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.18 -58.53 7.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.011 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 mtp85 -41.23 -29.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.83 ' CA ' HG22 ' A' ' 96' ' ' ILE . . . -49.5 -50.28 30.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -44.48 -26.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 26' ' ' GLY . . . -56.47 -84.06 0.04 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.474 1.108 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 28' ' ' GLY . 11.1 mm-40 -141.27 -155.49 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.604 ' CE2' ' OE1' ' A' ' 52' ' ' GLU . 18.6 p90 -124.91 175.87 7.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.707 ' HB3' HG13 ' A' ' 97' ' ' ILE . . . -163.86 144.96 8.81 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.51 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 51.3 m95 -89.71 153.5 20.66 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -139.87 139.25 36.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.024 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -117.76 150.24 39.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.57 113.56 1.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -113.21 -173.77 18.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -63.38 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 0.765 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.58 -56.55 20.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.01 -70.71 0.04 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 42.9 m95 -134.41 135.13 42.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -126.65 160.31 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -94.01 154.72 17.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.644 ' CE2' ' CD2' ' A' ' 51' ' ' LEU . 64.8 m-85 -74.69 -83.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 21.0 t0 -173.4 -65.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.482 ' OE1' ' CG2' ' A' ' 99' ' ' ILE . 6.1 tt0 161.98 -27.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -73.9 -44.86 53.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.42 ' C ' HD13 ' A' ' 51' ' ' LEU . 1.2 m -71.35 -64.58 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -37.81 -44.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.65 -29.5 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 48' ' ' SER . 8.9 mm-40 -94.45 -38.75 10.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.644 ' CD2' ' CE2' ' A' ' 43' ' ' TYR . 4.2 mp -48.5 -48.77 37.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.604 ' OE1' ' CE2' ' A' ' 30' ' ' TYR . 11.9 tp10 -73.54 -57.42 4.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 52' ' ' GLU . 0.5 OUTLIER -40.03 -51.55 2.55 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.609 ' HB1' ' CB ' ' A' ' 59' ' ' LYS . . . -68.38 -62.84 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -41.09 -38.49 1.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.433 ' C ' ' N ' ' A' ' 58' ' ' GLY . 26.8 t -79.56 -61.07 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -43.26 -27.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 117.04 -8.04 16.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.609 ' CB ' ' HB1' ' A' ' 54' ' ' ALA . 1.8 mttm -51.43 122.82 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' CD ' ' HG3' ' A' ' 76' ' ' GLU . 12.2 mmtt -66.45 -28.68 68.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.836 ' HA ' HD22 ' A' ' 75' ' ' LEU . 8.1 p30 -158.81 142.27 14.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.441 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 6.3 t -113.23 135.62 53.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.378 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -89.99 123.08 33.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.672 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -118.45 150.42 39.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.55 HD13 HD22 ' A' ' 70' ' ' LEU . 1.1 tp -113.63 104.69 12.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.567 HG22 ' N ' ' A' ' 67' ' ' ALA . 20.6 mm -87.68 172.12 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.567 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -40.79 92.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 49.29 49.13 32.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.494 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 2.5 m-85 -156.57 111.2 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 0.782 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 65' ' ' LEU . 4.5 mm? -73.45 113.21 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.494 ' CE2' ' HB3' ' A' ' 69' ' ' PHE . 11.8 m-85 -119.85 156.7 30.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.526 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 44.9 t -135.78 116.51 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.672 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -95.64 109.71 21.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.349 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.573 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 2.9 t0 -91.93 126.41 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.836 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -94.11 -32.86 13.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.462 ' HG3' ' CD ' ' A' ' 60' ' ' LYS . 1.7 mt-10 -50.77 -44.13 58.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -101.43 -10.31 20.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.41 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 0.0 OUTLIER 66.5 46.22 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.41 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.3 m -151.07 147.25 15.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 4.4 pt20 -112.48 131.68 55.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 2.8 p90 -129.94 156.94 43.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -67.91 160.51 28.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.263 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.46 ' CD ' ' HB3' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -75.22 -74.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -61.79 -41.11 97.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.86 68.97 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -27.35 10.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.626 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.39 -56.67 14.11 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.528 1.142 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 1.7 mmp_? -61.11 111.66 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.77 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 3.6 ptm180 -148.1 154.4 40.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -142.89 150.5 39.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.92 142.93 41.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.414 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 20.4 pt -128.72 162.9 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.9 pttt -152.63 164.98 36.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.432 ' NH1' ' OE2' ' A' ' 52' ' ' GLU . 4.8 ttp180 -111.53 111.43 22.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -105.43 166.3 10.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.851 ' O ' HD13 ' A' ' 97' ' ' ILE . 32.9 mt -97.84 133.19 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.851 HD13 ' O ' ' A' ' 96' ' ' ILE . 6.2 mm -144.12 -128.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.515 ' H ' HG22 ' A' ' 97' ' ' ILE . 49.7 t0 177.38 85.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.606 HG23 ' HD2' ' A' ' 100' ' ' PRO . 31.3 mm -76.41 141.06 69.3 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 99' ' ' ILE . 18.4 Cg_endo -75.01 74.48 4.0 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -81.23 -16.86 51.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -56.22 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -45.95 -58.8 5.36 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.0 m -69.36 147.33 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.283 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.8 p -158.6 149.12 20.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.998 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.48 111.52 3.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 134.02 17.27 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.973 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.7 t -76.92 166.89 22.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 m -74.69 150.79 39.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.004 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -176.94 149.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.148 . . . . 0.0 110.023 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.1 p -164.47 170.21 16.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.66 -170.71 29.97 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.126 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -156.13 156.7 34.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 109.991 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -95.74 109.92 22.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.18 94.37 0.84 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.104 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.415 ' O ' ' CG ' ' A' ' 8' ' ' PHE . 42.7 p90 -157.93 124.54 4.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 110.96 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 tt 70.14 122.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -166.31 -57.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.21 67.96 9.23 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 164.49 33.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.553 1.817 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.541 HG21 HD23 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -51.22 143.56 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.442 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HA ' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -118.08 16.34 14.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.541 HD23 HG21 ' A' ' 13' ' ' THR . 3.8 pp -41.9 160.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.437 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -91.39 174.99 3.84 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 110.017 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.3 Cg_endo -74.99 -20.0 17.31 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.464 1.771 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -73.75 -36.62 65.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -54.42 -28.59 44.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.289 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -70.98 -54.0 12.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -40.92 97.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.05 -37.86 4.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.0 -56.67 11.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.68 -63.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.957 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 -40.79 -34.32 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 97' ' ' ILE . . . -47.92 -37.25 15.33 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.095 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -49.53 -22.53 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 0.78 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -38.75 -65.25 0.78 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.88 -166.52 2.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.559 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 24.6 p90 -143.92 131.01 20.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.447 ' HB1' ' NE2' ' A' ' 42' ' ' GLN . . . -103.12 157.18 17.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.456 ' CH2' HD22 ' A' ' 75' ' ' LEU . 46.4 m95 -99.89 154.77 18.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.028 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 43.2 m-85 -143.1 146.37 33.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 17.8 p90 -124.03 148.51 46.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 34' ' ' TYR . 36.1 tt0 -37.65 114.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.438 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -115.68 158.87 14.12 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.2 -50.93 8.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 0.782 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.76 -39.75 80.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.89 -64.16 0.18 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.501 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 91.9 m95 -134.38 129.17 34.99 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.449 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 6.5 m95 -115.84 144.88 43.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 108.015 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 4.6 tt0 -91.63 143.53 26.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.555 ' CD1' HG21 ' A' ' 47' ' ' THR . 57.6 m-85 -68.08 169.17 10.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -56.64 -68.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 179.37 -41.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 47' ' ' THR . 1.3 ttt180 -71.9 -57.14 4.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.555 HG21 ' CD1' ' A' ' 43' ' ' TYR . 4.0 m -37.44 -50.29 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 110.371 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 49.4 m -63.89 -51.31 65.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.972 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -43.71 -27.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' SER . 8.5 mm-40 -91.67 -35.21 14.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.972 HD23 HG21 ' A' ' 62' ' ' THR . 69.2 mt -64.59 -52.21 58.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -40.3 72.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -64.59 -59.49 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.85 -64.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.34 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -44.66 -52.14 8.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 57' ' ' LYS . 5.8 t -61.1 -66.34 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.03 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' SER . 38.5 mtmt -39.92 -43.41 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.99 -7.91 6.8 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.519 1.137 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -52.35 140.04 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 0.791 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.34 -51.98 5.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -118.22 122.4 42.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.972 HG21 HD23 ' A' ' 51' ' ' LEU . 4.2 t -105.64 128.78 53.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.377 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.71 120.9 29.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.411 ' O ' ' CD1' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -120.6 159.18 25.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.435 ' C ' HD23 ' A' ' 65' ' ' LEU . 7.8 tt -125.69 104.33 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.571 HG22 ' N ' ' A' ' 67' ' ' ALA . 13.7 mm -83.4 170.88 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.571 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -44.24 90.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.559 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 57.67 46.66 91.93 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.125 . . . . 0.0 111.017 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.49 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 17.6 m-85 -159.42 97.46 1.35 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 0.754 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.446 ' HG ' ' CD ' ' A' ' 83' ' ' ARG . 0.2 OUTLIER -66.72 110.46 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.563 ' CE1' ' HG3' ' A' ' 82' ' ' ARG . 11.4 m-85 -114.22 163.24 15.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.978 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.415 ' CG2' ' HG3' ' A' ' 83' ' ' ARG . 47.3 t -139.26 117.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.547 ' HB3' ' CG2' ' A' ' 62' ' ' THR . . . -91.46 118.72 30.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.573 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 9.7 t0 -102.05 103.38 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.245 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.456 HD22 ' CH2' ' A' ' 32' ' ' TRP . 14.4 mt -71.68 -38.02 70.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.7 -44.59 6.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 110.306 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -102.65 -12.06 17.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.3 tpt 71.59 32.44 2.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.966 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.665 HG12 ' HG2' ' A' ' 91' ' ' LYS . 6.9 m -139.13 143.02 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.452 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 1.1 pt20 -111.61 133.93 53.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 3.2 p90 -130.48 154.44 47.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 2.6 ttm180 -70.04 140.25 52.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -53.88 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.61 -56.64 16.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.51 79.66 6.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -55.35 -32.41 62.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.627 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.95 -62.89 5.65 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.6 mmt-85 -53.61 112.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 0.767 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.437 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -154.59 167.47 30.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.62 158.74 41.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.665 ' HG2' HG12 ' A' ' 79' ' ' VAL . 4.8 mttm -78.94 146.95 33.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.452 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 13.0 pt -123.24 152.57 28.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.501 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 0.1 OUTLIER -149.01 165.32 32.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.456 ' HD2' ' CD1' ' A' ' 30' ' ' TYR . 12.0 ttp180 -118.19 116.22 26.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 110.345 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -111.37 125.7 54.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.516 HD13 ' HB3' ' A' ' 30' ' ' TYR . 24.2 mm -58.19 133.33 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 98' ' ' ASP . 2.1 mm -134.42 161.02 41.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.437 ' N ' ' CG2' ' A' ' 97' ' ' ILE . 3.3 m-20 -72.98 -134.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.545 ' O ' HD12 ' A' ' 99' ' ' ILE . 2.0 pp -136.71 155.76 76.5 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.58 14.26 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.451 1.764 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -52.21 -56.26 15.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -23.95 6.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -58.37 -64.24 4.51 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.555 1.159 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.4 p -70.95 119.06 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.9 73.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -115.12 164.0 12.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -55.04 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.0 p -174.96 170.94 3.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.971 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.7 t -131.07 150.01 52.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.097 . . . . 0.0 110.973 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.878 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -168.17 148.69 4.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.22 128.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.61 -135.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.65 -61.71 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 110.073 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 70.44 170.46 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.107 . . . . 0.0 110.025 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' CG ' ' A' ' 8' ' ' PHE . . . -141.72 -174.18 14.37 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 1.6 m-85 -176.24 173.85 2.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 0.762 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 tp -166.61 148.35 6.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -177.0 166.91 2.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -67.08 131.14 93.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 18.2 Cg_endo -75.02 -56.78 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.401 HG23 ' N ' ' A' ' 14' ' ' LEU . 6.5 t -143.27 -166.07 2.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.435 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' THR . 0.5 OUTLIER -47.44 103.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 54.56 -178.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -118.36 170.96 5.66 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.019 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -17.66 19.25 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.793 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -81.25 -24.3 37.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.312 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 0.1 OUTLIER -71.03 -35.46 72.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.895 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -64.09 -27.45 69.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.419 ' C ' ' N ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -73.17 -9.15 58.42 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 19' ' ' GLU . . . -42.71 -28.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' A' ' 21' ' ' LYS . . . -47.82 -24.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 22' ' ' ALA . 71.0 m -86.37 -68.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' ASN . 12.1 ptp180 -43.21 -27.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' ARG . . . -37.22 -32.24 0.07 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 25' ' ' ARG . 1.1 m-20 -45.34 -62.85 1.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 0.793 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.545 ' CA ' ' HB ' ' A' ' 97' ' ' ILE . . . -101.0 -100.14 2.4 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.476 ' O ' ' HA ' ' A' ' 96' ' ' ILE . 1.7 mt-10 78.13 -80.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 44.8 p90 -132.77 150.43 52.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.764 ' HB2' HG13 ' A' ' 97' ' ' ILE . . . -145.74 148.01 32.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.683 ' CH2' HD22 ' A' ' 75' ' ' LEU . 77.7 m95 -99.61 130.05 45.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 107.995 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 20.6 m-85 -122.83 141.46 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 41' ' ' TRP . 21.8 p90 -112.78 135.26 53.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' CD ' ' A' ' 90' ' ' ARG . 0.2 OUTLIER -49.73 132.53 21.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.267 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.78 -170.38 12.05 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -60.01 4.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 0.774 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.62 -46.59 83.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.37 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . 170.28 -68.41 0.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -136.92 138.85 41.1 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 19.4 m95 -124.49 156.97 36.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 107.995 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -92.95 158.83 15.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 33.3 m-85 -90.37 -170.47 2.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.67 -72.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 178.45 -45.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -68.07 -61.57 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.256 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 46' ' ' ARG . 2.5 m -36.76 -44.17 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.42 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 64.4 m -65.56 -49.95 66.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.017 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' ARG . 39.0 mtt180 -44.93 -26.54 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -87.95 -35.84 17.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' SER . 96.0 mt -59.45 -53.23 60.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.559 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 7.5 tm-20 -62.51 -59.29 5.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.33 -45.48 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.74 -65.6 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.527 ' HA ' HD13 ' A' ' 75' ' ' LEU . 23.4 t80 -42.46 -44.02 3.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -59.36 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -48.7 -41.89 33.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.12 -7.83 8.62 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -52.11 129.44 27.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.753 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.57 -54.29 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -114.05 145.28 41.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.998 HG22 ' HB3' ' A' ' 73' ' ' ALA . 6.4 t -126.05 159.56 32.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 0.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' OE1' ' NH1' ' A' ' 83' ' ' ARG . 2.3 tt0 -106.69 145.33 32.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.91 127.84 11.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.474 HD13 HD22 ' A' ' 70' ' ' LEU . 0.4 OUTLIER -91.56 106.0 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.682 HG22 ' H ' ' A' ' 67' ' ' ALA . 4.5 mm -94.8 175.79 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.682 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -36.17 92.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 41.48 51.68 4.56 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.401 ' CD2' ' O ' ' A' ' 67' ' ' ALA . 12.4 m-85 -160.65 120.66 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 0.745 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.474 HD22 HD13 ' A' ' 65' ' ' LEU . 3.4 mm? -75.17 122.5 23.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.607 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.6 m-85 -127.04 163.44 23.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.764 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.3 m -140.37 144.49 27.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.998 ' HB3' HG22 ' A' ' 62' ' ' THR . . . -113.85 115.43 27.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.556 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 24.2 t70 -97.59 102.8 14.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.683 HD22 ' CH2' ' A' ' 32' ' ' TRP . 10.3 mt -71.6 -29.2 64.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -47.91 -50.86 25.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.27 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.427 ' O ' ' HB2' ' A' ' 78' ' ' MET . 13.7 m-80 -101.83 -3.08 28.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.234 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 65.24 37.57 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 111.034 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.514 HG11 ' NH1' ' A' ' 89' ' ' ARG . 6.2 m -141.84 145.45 24.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 0.3 OUTLIER -114.39 147.79 38.67 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.443 1.09 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.764 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 1.6 p90 -145.05 157.95 43.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.463 ' CG ' ' CE1' ' A' ' 71' ' ' TYR . 1.2 mtm180 -63.83 136.13 57.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.425 ' NH1' ' OE1' ' A' ' 63' ' ' GLU . 2.7 ttt180 -50.16 -51.75 41.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -91.04 -54.15 4.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -73.61 57.2 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.309 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -41.96 -28.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.583 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 85' ' ' GLU . . . -57.81 -49.21 76.4 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -69.48 111.52 5.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 0.79 . . . . 0.0 110.27 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.514 ' NH1' HG11 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -146.49 163.92 34.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 110.311 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.433 ' CD ' ' O ' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -157.47 154.85 29.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.365 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HA ' HG12 ' A' ' 79' ' ' VAL . 18.8 mttt -79.37 151.97 30.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 12.6 pt -134.76 148.27 29.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.4 pttt -142.54 165.39 27.53 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -119.39 109.34 15.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -101.3 175.06 5.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.62 ' O ' HD13 ' A' ' 97' ' ' ILE . 20.0 mm -103.53 148.56 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.764 HG13 ' HB2' ' A' ' 31' ' ' ALA . 11.7 mm -131.05 173.98 13.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.614 ' H ' HG22 ' A' ' 97' ' ' ILE . 9.7 t70 72.28 111.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.513 ' C ' HD12 ' A' ' 99' ' ' ILE . 2.7 pp -39.9 157.03 0.15 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 113.7 3.85 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.519 1.799 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -91.13 -56.48 3.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -41.68 -31.68 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 104' ' ' VAL . . . -67.55 -65.16 2.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 103' ' ' GLY . 7.9 p 37.99 58.49 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 104' ' ' VAL . 17.9 t -38.25 101.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -42.84 102.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.425 1.078 . . . . 0.0 110.965 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 126.28 9.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.2 m 70.15 160.21 0.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 t -158.97 144.04 16.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.043 -0.406 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 p -161.4 -59.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -92.7 153.85 18.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.83 -179.34 37.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m 61.92 148.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 0.737 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 t -173.2 171.96 3.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.04 162.24 23.06 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.485 1.115 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -163.58 93.87 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.41 HD23 ' HD3' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -174.24 137.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -168.14 -63.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HD3' HD23 ' A' ' 9' ' ' LEU . 1.3 mppt? 46.63 73.07 1.06 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 136.79 20.86 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.465 1.771 . . . . 0.0 111.025 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.425 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.3 t -173.97 -171.52 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER 171.18 139.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 pp -179.96 -172.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -151.97 176.4 2.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.3 Cg_endo -75.01 -13.5 21.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -87.5 -49.04 7.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.304 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -26.35 0.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.74 -69.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -37.77 76.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.11 -38.43 38.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.46 -31.6 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.9 -59.81 2.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -58.35 -16.66 15.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.315 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.508 ' C ' ' CG2' ' A' ' 96' ' ' ILE . . . -58.77 -44.49 95.82 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -44.03 -26.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.422 ' N ' ' C ' ' A' ' 26' ' ' GLY . . . -37.69 -62.79 0.93 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.11 -170.82 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 110.349 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 8.3 p90 -137.2 165.64 25.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.472 ' HB1' ' CD ' ' A' ' 42' ' ' GLN . . . -149.05 151.48 34.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.447 ' CB ' HD12 ' A' ' 51' ' ' LEU . 36.6 m95 -90.72 140.89 29.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 10.5 m-85 -125.57 153.2 44.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CD2' ' O ' ' A' ' 35' ' ' GLU . 9.6 p90 -135.05 150.46 50.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.563 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 30.6 tt0 -55.37 142.56 31.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -144.69 -143.53 4.03 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -78.54 -67.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.27 -52.75 64.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.05 -79.2 0.05 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -126.76 147.26 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.3 m95 -138.97 152.88 48.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.049 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.583 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -91.95 147.31 23.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -68.18 -66.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -176.65 -68.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 177.9 -44.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -76.55 -56.57 4.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 m -42.81 -40.36 2.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.398 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 51' ' ' LEU . 36.1 p -75.96 -44.75 38.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 -45.15 -26.16 0.44 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.371 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -85.82 -39.59 16.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.497 HD23 ' CG2' ' A' ' 62' ' ' THR . 81.7 mt -53.12 -51.14 62.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -60.95 -58.77 7.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.78 -52.18 4.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.451 ' CA ' ' HB2' ' A' ' 59' ' ' LYS . . . -65.32 -59.2 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -44.78 -50.1 10.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.419 ' C ' ' N ' ' A' ' 58' ' ' GLY . 28.0 t -67.75 -62.03 1.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.01 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -41.02 -29.64 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 117.09 -10.74 15.04 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.746 ' O ' HD23 ' A' ' 75' ' ' LEU . 11.3 mttm -50.35 100.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 0.795 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -46.88 -30.65 2.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.816 ' HA ' HD22 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -147.73 168.82 21.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.497 ' CG2' HD23 ' A' ' 51' ' ' LEU . 10.4 t -150.13 128.49 12.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -81.58 158.46 24.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.103 . . . . 0.0 110.316 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.537 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -156.84 157.63 35.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 70' ' ' LEU . 1.6 tp -115.76 113.62 23.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 1.031 HD12 ' CD2' ' A' ' 71' ' ' TYR . 3.8 mt -104.26 -179.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.753 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -37.82 93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 40.8 47.58 4.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.406 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 11.5 m-85 -158.05 111.44 2.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 111.05 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.544 HD13 ' HD2' ' A' ' 83' ' ' ARG . 4.3 mt -75.87 121.96 23.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 1.031 ' CD2' HD12 ' A' ' 66' ' ' ILE . 18.2 m-85 -120.91 161.4 21.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.511 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 59.8 t -131.64 112.28 20.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.443 1.089 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -92.33 107.59 19.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.449 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 53.8 t0 -92.23 123.93 35.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.816 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -89.55 -32.64 17.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' HG3' ' CG ' ' A' ' 60' ' ' LYS . 0.7 OUTLIER -45.27 -48.41 12.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.334 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -103.79 -7.22 20.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.9 tpt 66.46 41.75 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.476 HG12 ' CG ' ' A' ' 91' ' ' LYS . 5.2 m -139.58 144.74 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 2.0 pt20 -112.45 126.9 55.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.511 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 5.4 p90 -127.34 145.24 50.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 110.971 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -56.7 137.35 54.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.544 ' HD2' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -51.62 -68.23 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -68.72 -50.46 50.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.7 OUTLIER -91.7 80.86 5.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -26.27 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.618 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.55 -56.28 22.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.2 mtp180 -68.39 112.41 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -153.22 164.53 37.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.22 144.52 23.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.24 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.476 ' CG ' HG12 ' A' ' 79' ' ' VAL . 2.2 ttmt -68.51 151.43 46.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.345 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 25.9 pt -128.29 154.39 38.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -145.8 144.17 30.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.139 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -87.45 112.91 22.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.492 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . 30.5 t0 -105.26 168.91 8.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.508 ' CG2' ' C ' ' A' ' 26' ' ' GLY . 45.9 mt -101.79 138.6 25.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 97' ' ' ILE . 2.6 mm -126.7 155.44 37.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.631 ' O ' HG23 ' A' ' 99' ' ' ILE . 0.3 OUTLIER -61.06 -66.3 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.631 HG23 ' O ' ' A' ' 98' ' ' ASP . 0.8 OUTLIER -161.52 162.3 21.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 161.99 37.83 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.441 1.759 . . . . 0.0 110.941 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.98 -54.82 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.87 -54.53 4.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -38.07 -62.64 1.02 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.51 1.131 . . . . 0.0 111.06 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 104' ' ' VAL . 10.7 p -41.0 115.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 0.75 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.03 173.64 13.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.035 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -115.64 111.27 2.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.037 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 167.3 27.37 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.808 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.2 t -164.67 164.88 21.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.63 164.99 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.032 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.38 -55.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.015 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m 61.39 142.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.94 87.73 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.43 163.56 0.41 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 0.803 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.52 162.13 9.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.041 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.84 -158.66 9.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.483 1.114 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.503 ' O ' ' CD2' ' A' ' 8' ' ' PHE . 38.2 p90 -161.28 117.69 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 0.756 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -164.64 131.82 3.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -177.63 120.55 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.233 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 46' ' ' ARG . 2.8 mttm -157.59 112.25 1.84 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 160.28 40.37 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.1 t -173.61 -171.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.427 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.38 160.34 14.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.69 HD13 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.48 -171.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.417 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -135.42 164.91 40.28 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.954 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.417 ' HD2' ' HB3' ' A' ' 16' ' ' SER . 18.4 Cg_endo -74.99 -8.85 20.46 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -91.09 -23.6 20.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -22.02 62.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 110.274 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -85.09 -32.57 22.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.453 ' C ' ' N ' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -76.5 -8.0 56.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.541 ' CB ' HD13 ' A' ' 97' ' ' ILE . . . -40.59 -29.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' N ' ' C ' ' A' ' 21' ' ' LYS . . . -36.61 -68.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.52 -49.05 4.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -56.84 -16.67 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.506 ' O ' HG22 ' A' ' 96' ' ' ILE . . . -41.49 -27.9 0.32 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.411 ' N ' ' C ' ' A' ' 25' ' ' ARG . 5.2 m-80 -52.98 -19.37 2.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.18 -78.92 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.101 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -136.54 -163.18 1.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.282 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.572 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 9.1 p90 -124.05 153.23 41.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.489 ' CB ' HG13 ' A' ' 97' ' ' ILE . . . -131.12 164.5 25.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.652 ' CH2' HD22 ' A' ' 75' ' ' LEU . 40.0 m95 -106.21 141.51 37.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 107.992 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.581 ' CE2' ' HB2' ' A' ' 42' ' ' GLN . 7.6 m-85 -124.28 149.33 46.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.598 ' CE2' ' HB3' ' A' ' 41' ' ' TRP . 7.8 p90 -136.38 133.67 37.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.5 tp10 -32.79 116.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -101.77 -161.85 26.85 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.528 1.142 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.38 -35.77 34.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -88.14 -48.46 7.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -165.09 -84.48 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.12 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -119.4 121.04 38.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.598 ' HB3' ' CE2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -95.33 127.66 41.56 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.678 ' NE2' HD11 ' A' ' 97' ' ' ILE . 4.3 tt0 -90.91 128.96 36.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.474 1.109 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -60.75 -178.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -74.9 -69.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 178.61 -39.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 110.271 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -75.66 -65.76 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' ARG . 18.8 m -37.13 -42.38 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.436 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' LEU . 87.0 p -70.96 -48.35 53.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.968 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 46' ' ' ARG . 2.0 mmm180 -48.55 -23.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 48.7 mm-40 -85.94 -33.99 21.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.548 HD12 ' CB ' ' A' ' 32' ' ' TRP . 17.9 mt -55.56 -48.79 74.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.572 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 2.3 tm-20 -71.23 -47.38 57.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.65 -42.5 45.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.427 ' HB1' ' HB2' ' A' ' 59' ' ' LYS . . . -76.27 -56.31 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.513 ' HB2' HD13 ' A' ' 75' ' ' LEU . 7.1 t80 -48.55 -46.4 38.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.967 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.9 t -65.1 -63.12 1.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -40.11 -34.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.17 -10.26 6.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 24.8 mttp -59.61 119.77 8.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.42 ' HB2' ' CG ' ' A' ' 76' ' ' GLU . 7.5 pttt -85.7 -39.28 17.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -113.81 110.03 19.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 73' ' ' ALA . 8.8 t -111.04 118.18 35.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.48 146.65 30.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.731 ' O ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -138.67 160.23 40.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.44 1.088 . . . . 0.0 110.988 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 tp -116.29 103.98 11.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.581 HG22 ' N ' ' A' ' 67' ' ' ALA . 22.5 mm -87.37 171.61 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.581 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -43.74 92.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 52.97 45.35 61.86 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.429 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 21.6 m-85 -163.03 100.19 0.97 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 0.774 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 64' ' ' MET . 23.9 tp -72.16 116.22 12.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.522 ' CE1' ' HG3' ' A' ' 82' ' ' ARG . 18.3 m-85 -112.81 170.37 8.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.53 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 90.1 t -131.37 112.4 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.622 ' HB2' ' SD ' ' A' ' 64' ' ' MET . . . -88.54 114.08 24.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -99.34 102.04 13.51 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.138 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.652 HD22 ' CH2' ' A' ' 32' ' ' TRP . 3.6 mt -71.52 -27.02 62.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -49.69 -52.41 31.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 78' ' ' MET . 35.5 m-80 -102.34 -4.26 25.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 65.69 46.44 2.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.7 m -146.54 137.74 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.461 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 0.1 OUTLIER -108.11 128.07 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.53 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 8.7 p90 -127.09 143.39 51.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.522 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -47.42 152.21 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.573 ' HG3' HD23 ' A' ' 70' ' ' LEU . 3.0 mmm180 -46.04 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' HIS . 79.6 m-20 -84.49 -49.25 8.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.72 71.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' ASN . 37.0 t-80 -55.31 -41.01 71.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.558 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.62 -54.49 6.57 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.06 112.43 5.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -159.08 165.62 33.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -149.53 154.33 38.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -73.92 145.95 44.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.461 ' CG2' ' HG2' ' A' ' 80' ' ' GLN . 7.7 pt -122.84 141.96 41.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.63 165.94 25.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 -107.92 114.52 28.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.56 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . 18.2 t70 -110.7 175.53 5.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 26' ' ' GLY . 30.6 mm -103.14 136.77 34.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.678 HD11 ' NE2' ' A' ' 42' ' ' GLN . 2.3 mm -131.3 163.86 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.488 ' N ' ' CG2' ' A' ' 97' ' ' ILE . 18.4 t0 -70.86 -90.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.704 HG23 ' HD2' ' A' ' 100' ' ' PRO . 33.3 mt 66.33 141.66 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.704 ' HD2' HG23 ' A' ' 99' ' ' ILE . 18.3 Cg_endo -75.03 104.61 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.517 1.799 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -96.47 -52.73 3.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.48 -47.56 69.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -50.24 -67.38 1.88 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.523 1.139 . . . . 0.0 111.048 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 104' ' ' VAL . 8.9 p -70.24 116.76 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 0.74 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.45 156.22 41.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.28 -154.4 20.75 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 129.14 12.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 62.3 m -139.11 161.27 37.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.5 t -107.19 -60.84 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.468 1.105 . . . . 0.0 111.043 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 p -177.83 129.44 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.975 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.66 169.57 1.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.67 164.86 30.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.55 165.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.022 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.9 p -165.41 93.53 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.93 170.4 25.49 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.105 . . . . 0.0 110.986 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.479 ' O ' ' CD2' ' A' ' 8' ' ' PHE . 17.3 p90 -167.51 94.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.597 0.822 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -144.05 61.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.38 117.27 19.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -113.79 138.96 22.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -178.72 4.36 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.792 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.5 t -156.93 -178.0 7.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.407 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -174.09 176.73 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.96 173.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.92 165.81 13.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -17.01 19.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.488 1.783 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -77.03 -34.45 57.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -28.17 66.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.619 ' O ' ' HB3' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -56.6 -70.17 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 24' ' ' SER . 4.9 mtmt -51.79 -54.65 26.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.72 -41.67 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.619 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -44.29 -45.95 8.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' LYS . 1.9 t -44.27 -34.34 1.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.013 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -39.96 -34.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -47.99 -21.82 1.84 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -51.15 -26.75 7.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.51 ' HA2' ' CB ' ' A' ' 98' ' ' ASP . . . 115.35 113.71 2.91 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.421 ' CB ' ' O ' ' A' ' 28' ' ' GLY . 1.9 mt-10 166.11 160.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 0.772 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 96' ' ' ILE . 26.9 p90 -54.15 158.59 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.98 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.63 133.83 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.352 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.534 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 49.9 m95 -90.54 139.68 30.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.014 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -127.22 150.91 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.401 ' CD1' ' C ' ' A' ' 34' ' ' TYR . 9.9 p90 -134.28 150.73 51.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -50.14 109.67 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.89 -164.69 20.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.525 1.14 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -58.99 3.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 0.756 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -63.52 -44.05 95.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.6 -66.87 0.08 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.4 ' HA ' ' O ' ' A' ' 34' ' ' TYR . 40.1 m95 -137.56 138.54 39.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -129.89 167.97 17.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.39 154.8 19.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.417 ' OH ' HG21 ' A' ' 92' ' ' ILE . 88.1 m-85 -77.12 -65.35 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -177.97 -81.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -172.73 -39.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -78.56 -57.89 3.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.8 m -42.95 -35.76 1.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 51' ' ' LEU . 75.3 p -78.6 -42.87 27.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -26.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -85.25 -40.8 16.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.546 HD23 ' CG2' ' A' ' 62' ' ' THR . 49.5 mt -55.33 -58.14 8.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.58 -44.38 69.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -45.49 93.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.441 ' CB ' ' HB ' ' A' ' 62' ' ' THR . . . -67.75 -61.92 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -43.06 -45.33 5.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.455 ' C ' ' N ' ' A' ' 58' ' ' GLY . 1.5 t -69.56 -63.51 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.97 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -40.15 -29.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' N ' ' C ' ' A' ' 56' ' ' SER . . . 116.36 -8.11 18.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.558 ' O ' HD23 ' A' ' 75' ' ' LEU . 30.3 mttm -54.09 104.13 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 0.783 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 76' ' ' GLU . 0.5 OUTLIER -51.22 -27.13 8.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.857 ' HA ' HD22 ' A' ' 75' ' ' LEU . 4.9 p30 -157.3 149.76 23.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.546 ' CG2' HD23 ' A' ' 51' ' ' LEU . 5.8 t -122.35 142.59 50.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.25 123.29 39.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.635 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -117.86 157.02 27.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 111.016 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.579 HD13 HD22 ' A' ' 70' ' ' LEU . 2.9 tp -121.8 105.84 10.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.561 HG13 ' CD2' ' A' ' 71' ' ' TYR . 12.0 mm -87.52 172.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.552 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -41.21 92.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 50.77 49.06 42.51 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.493 1.121 . . . . 0.0 111.042 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.438 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 7.2 m-85 -157.55 107.07 2.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 111.038 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.579 HD22 HD13 ' A' ' 65' ' ' LEU . 4.6 mm? -70.07 115.01 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 82' ' ' ARG . 9.7 m-85 -121.1 158.7 27.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.543 ' CG1' ' CE1' ' A' ' 81' ' ' TYR . 63.0 t -136.94 120.38 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.635 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -102.08 109.11 20.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.478 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 9.8 t0 -92.45 127.42 37.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.857 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -93.99 -38.35 11.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.43 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 0.9 OUTLIER -48.31 -41.08 27.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.256 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -102.06 -14.19 17.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.452 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 2.1 tpt 67.36 47.6 1.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.984 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.452 ' CG1' ' C ' ' A' ' 78' ' ' MET . 1.2 m -152.54 147.34 14.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 6.2 pt20 -114.79 133.95 55.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.543 ' CE1' ' CG1' ' A' ' 72' ' ' VAL . 2.9 p90 -130.48 158.84 38.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 71' ' ' TYR . 0.9 OUTLIER -77.36 138.58 39.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.312 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.48 ' CG ' HG23 ' A' ' 72' ' ' VAL . 3.6 mtp180 -56.2 -73.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -54.27 -49.61 69.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -97.12 75.58 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -55.68 -18.91 9.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.615 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.89 -54.99 21.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 0.2 OUTLIER -60.33 111.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 0.781 . . . . 0.0 110.357 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -148.17 157.29 43.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.101 . . . . 0.0 110.276 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.4 mtt85 -147.19 149.02 32.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.1 mmtt -74.48 144.51 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.417 HG21 ' OH ' ' A' ' 43' ' ' TYR . 36.8 pt -129.56 161.11 39.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.01 135.32 13.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.448 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 8.8 ttp180 -94.72 111.83 23.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.267 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -109.05 -177.18 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.447 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 8.8 mt -124.32 136.68 59.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.476 ' O ' ' C ' ' A' ' 98' ' ' ASP . 3.0 mm -103.52 146.84 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.51 ' CB ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER 33.37 62.75 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.483 ' O ' HD12 ' A' ' 99' ' ' ILE . 2.8 pp -37.71 146.71 0.26 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 149.97 37.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.547 1.814 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.08 -13.0 31.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -82.13 -27.08 32.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -63.02 -55.63 25.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.5 t 61.97 144.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.2 t -67.65 157.71 33.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -46.15 110.87 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.27 176.68 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 73.5 m 58.46 159.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.011 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -95.91 113.71 25.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 110.033 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.06 149.24 32.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.08 87.97 0.19 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -168.9 106.58 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 0.743 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m 62.91 165.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.2 -67.21 2.79 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -114.72 110.05 19.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 110.99 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.53 65.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.64 101.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' CG ' ' HD2' ' A' ' 12' ' ' PRO . 5.3 tttp 70.2 143.99 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 11' ' ' LYS . 18.2 Cg_endo -75.01 -168.15 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.56 1.821 . . . . 0.0 110.961 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.4 p -40.94 151.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -87.76 2.48 51.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mt -139.11 -178.94 5.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.17 164.99 13.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.85 21.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -81.3 -34.39 31.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.328 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.76 -38.48 78.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.431 1.082 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.935 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -51.36 -23.7 3.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.41 ' C ' ' N ' ' A' ' 23' ' ' ALA . 11.1 mmmt -66.19 -46.07 78.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.73 -28.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 20' ' ' LEU . . . -55.94 -53.86 51.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -50.76 72.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.972 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -13.83 33.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.36 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.591 ' O ' HG22 ' A' ' 96' ' ' ILE . . . -39.96 -40.08 1.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.032 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -42.03 -27.26 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 26' ' ' GLY . . . -41.05 -72.19 0.27 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -148.92 -170.32 3.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 0.795 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.474 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 23.2 p90 -119.83 140.64 50.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.079 . . . . 0.0 111.003 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.93 -179.98 3.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.793 ' CH2' HD22 ' A' ' 75' ' ' LEU . 59.3 m95 -124.19 150.69 44.93 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.571 ' CD1' ' HB2' ' A' ' 95' ' ' ASP . 20.5 m-85 -143.46 157.4 44.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.579 ' CD2' ' O ' ' A' ' 35' ' ' GLU . 9.2 p90 -127.39 153.9 45.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.579 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 42.4 tt0 -56.63 137.9 53.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -137.72 -147.33 5.22 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.117 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.06 -66.44 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 0.772 . . . . 0.0 110.332 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -58.04 -51.76 68.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -169.87 -94.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.458 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 66.7 m95 -119.62 128.95 54.34 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -112.54 155.08 24.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 108.033 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.541 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.6 tt0 -90.25 145.83 24.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.448 ' CE1' ' HB3' ' A' ' 34' ' ' TYR . 65.3 m-85 -66.79 -70.1 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -175.9 -71.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 177.3 -40.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.9 mmt-85 -75.8 -52.31 10.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 m -45.11 -43.58 9.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' LEU . 26.3 p -71.79 -47.73 51.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.001 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HA ' ' CG ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -43.36 -28.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.314 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -90.12 -35.94 15.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.265 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.744 HD23 ' CG2' ' A' ' 62' ' ' THR . 56.4 mt -70.95 -37.87 72.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.416 ' CG ' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -68.71 -38.38 80.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.283 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.05 -52.07 39.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' PHE . . . -53.04 -69.1 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' ALA . 28.5 t80 -37.35 -49.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' LYS . 0.6 OUTLIER -65.83 -64.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.003 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 56' ' ' SER . 6.7 mtmt -39.9 -38.82 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 128.75 -16.77 5.83 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 111.036 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mttm -54.7 138.01 42.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -85.23 -56.25 3.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -109.68 164.49 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.744 ' CG2' HD23 ' A' ' 51' ' ' LEU . 9.0 t -155.15 122.33 5.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.78 128.3 34.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.623 ' HE1' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -127.12 117.61 22.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.9 tp -87.8 100.96 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.968 HD12 ' CD2' ' A' ' 71' ' ' TYR . 9.5 mt -82.38 177.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.721 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -45.52 91.6 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.07 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 54.39 40.61 69.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.25 94.96 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.035 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -69.96 117.25 11.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.968 ' CD2' HD12 ' A' ' 66' ' ' ILE . 12.4 m-85 -119.11 160.83 21.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.579 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 49.9 t -136.97 130.11 45.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.674 ' HB3' HG22 ' A' ' 62' ' ' THR . . . -105.74 141.0 37.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -130.64 103.51 6.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.793 HD22 ' CH2' ' A' ' 32' ' ' TRP . 11.6 mt -73.5 -38.58 65.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.08 -46.32 4.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.288 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -102.05 -13.39 17.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.405 ' C ' HG12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER 69.6 41.11 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.517 HG12 ' HG2' ' A' ' 91' ' ' LYS . 5.8 m -136.4 156.96 36.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 4.0 mt-30 -124.6 126.15 45.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.579 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 19.7 p90 -131.24 150.89 51.96 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.53 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 1.0 OUTLIER -59.8 149.18 31.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.451 ' HA ' ' CG2' ' A' ' 72' ' ' VAL . 0.7 OUTLIER -59.73 -70.1 0.18 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -64.61 -56.93 10.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 3.0 mt-10 -87.76 100.97 13.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -75.7 -30.98 59.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.554 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.98 -47.59 39.97 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.98 109.6 7.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 0.723 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.486 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -157.33 170.78 21.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -159.32 147.2 17.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.517 ' HG2' HG12 ' A' ' 79' ' ' VAL . 12.0 mttt -68.43 144.28 54.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.405 HG12 ' C ' ' A' ' 78' ' ' MET . 12.3 pt -118.08 164.63 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.458 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 6.2 pttt -151.48 165.46 34.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -108.5 121.98 46.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.571 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . 5.8 t70 -103.64 -179.96 4.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.789 ' O ' HD13 ' A' ' 97' ' ' ILE . 13.0 mm -119.58 123.69 71.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.789 HD13 ' O ' ' A' ' 96' ' ' ILE . 7.5 mm -143.35 -127.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.575 ' H ' HG22 ' A' ' 97' ' ' ILE . 12.2 p-10 -179.27 95.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.729 HG23 ' HD2' ' A' ' 100' ' ' PRO . 4.9 mp -113.89 142.37 27.71 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.729 ' HD2' HG23 ' A' ' 99' ' ' ILE . 18.4 Cg_endo -75.0 124.63 8.77 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 102' ' ' LYS . 14.1 ttmt -95.32 -65.43 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -40.32 -61.81 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -39.76 -45.26 2.77 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 70.4 t -66.51 -65.21 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.246 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.2 t -154.03 143.27 21.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.93 131.15 10.32 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 109.91 3.02 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.469 1.773 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 29.1 p -84.26 95.49 8.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.055 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.1 m -75.58 159.97 30.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 110.959 179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -169.42 139.39 2.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t -169.46 164.81 10.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.24 164.93 32.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.492 1.12 . . . . 0.0 111.047 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.2 p -160.85 145.28 13.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 0.756 . . . . 0.0 109.989 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.44 166.39 16.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.24 122.72 1.77 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.462 1.101 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -158.3 173.29 16.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 0.755 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tp -111.9 -65.99 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.5 t0 62.0 132.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 2.4 ptpt -107.11 145.99 32.28 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 18.3 Cg_endo -74.97 138.31 22.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 14' ' ' LEU . 55.4 m -137.41 167.09 22.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.419 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' N ' HG22 ' A' ' 13' ' ' THR . 0.4 OUTLIER -60.03 157.03 13.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 pp -44.61 165.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.517 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -130.97 178.91 1.51 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.517 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.4 Cg_endo -74.97 -13.57 21.45 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.033 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -80.77 -42.13 22.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.484 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -50.76 -33.21 22.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.369 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -67.11 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.17 -18.99 62.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 19' ' ' GLU . . . -68.89 -27.86 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' ARG . . . -68.05 -44.67 75.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 t -41.41 -28.35 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.9 ptt180 -40.2 -31.67 0.14 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' OD1' ' A' ' 98' ' ' ASP . . . -50.45 -20.93 4.07 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -57.79 -16.77 12.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.496 ' HA2' ' CB ' ' A' ' 98' ' ' ASP . . . 158.29 101.74 0.18 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -169.94 -155.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 110.252 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 52' ' ' GLU . 33.7 p90 -110.01 168.84 9.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.99 137.46 7.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.73 ' CH2' HD22 ' A' ' 75' ' ' LEU . 33.8 m95 -94.32 163.2 13.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 108.015 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.452 ' HB2' ' CG ' ' A' ' 93' ' ' LYS . 41.1 m-85 -144.32 161.89 37.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 41' ' ' TRP . 17.4 p90 -137.44 146.67 44.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.06 108.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.67 -179.7 18.25 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.555 1.16 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -64.14 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -53.42 -39.97 64.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 165.3 -69.04 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.8 m95 -136.2 111.73 9.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 34' ' ' TYR . 14.0 m95 -97.08 147.2 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.007 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.7 tt0 -88.38 163.03 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CE2' HD11 ' A' ' 51' ' ' LEU . 42.8 m-85 -87.43 -171.37 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -78.23 -65.85 0.92 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 177.33 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.7 mtm105 -67.0 -50.09 63.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.491 HG21 ' CD1' ' A' ' 43' ' ' TYR . 1.9 m -43.34 -54.53 4.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 51' ' ' LEU . 60.9 p -61.16 -48.5 81.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.009 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.57 -26.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -91.22 -35.36 14.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.609 HD23 HG21 ' A' ' 62' ' ' THR . 95.9 mt -59.41 -50.6 73.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.543 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 15.1 tt0 -58.47 -60.19 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.82 -54.3 3.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.33 -64.85 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' HA ' HD13 ' A' ' 75' ' ' LEU . 62.4 t80 -42.58 -44.03 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.91 -66.38 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.975 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -40.66 -38.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.45 -9.16 13.29 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.45 1.094 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.0 mttt -50.95 134.84 25.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 0.768 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -77.44 -53.22 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -113.25 145.3 41.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 1.004 HG22 ' HB3' ' A' ' 73' ' ' ALA . 12.2 t -127.87 163.72 23.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -110.4 149.15 30.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 1.066 ' HE1' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -155.16 121.63 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.62 HD13 HD22 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -85.49 102.45 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.695 HG22 ' H ' ' A' ' 67' ' ' ALA . 4.4 mm -90.16 176.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.695 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -37.43 92.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 43.51 50.99 6.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.482 ' CE1' ' NH2' ' A' ' 82' ' ' ARG . 13.6 m-85 -161.44 115.72 1.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.871 HD12 ' HG3' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -74.28 115.63 14.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.613 ' CD2' HG13 ' A' ' 66' ' ' ILE . 14.7 m-85 -119.35 166.18 13.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.5 m -139.06 141.38 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 1.066 ' HB2' ' HE1' ' A' ' 64' ' ' MET . . . -109.4 114.08 27.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.513 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 17.6 t0 -96.15 102.54 14.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.73 HD22 ' CH2' ' A' ' 32' ' ' TRP . 4.3 mt -73.84 -19.97 60.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -53.99 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -100.85 -3.96 28.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.2 tpt 68.74 44.8 1.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.0 m -149.33 144.97 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.492 ' NE2' ' CE ' ' A' ' 64' ' ' MET . 3.2 pt20 -113.75 145.07 41.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 4.2 p90 -144.3 160.65 40.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.482 ' NH2' ' CE1' ' A' ' 69' ' ' PHE . 9.6 mtt180 -61.19 147.69 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.871 ' HG3' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -48.66 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.29 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 86' ' ' HIS . 11.3 t30 -74.29 -52.67 11.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -63.25 74.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.477 ' N ' ' O ' ' A' ' 84' ' ' ASN . 72.0 m-70 -56.95 -17.37 9.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.63 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.64 -65.17 2.92 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 4.4 mtt85 -52.6 109.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.493 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 0.3 OUTLIER -151.58 158.66 43.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -156.73 153.19 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.246 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -71.93 152.26 42.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.494 HG22 ' OH ' ' A' ' 43' ' ' TYR . 3.4 pt -132.56 155.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 8.5 pttt -147.06 162.08 39.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.42 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 12.1 ttp180 -116.01 115.0 25.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -117.79 159.89 22.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.3 mm -104.59 134.92 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 97' ' ' ILE . 1.6 mm -107.52 138.84 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.496 ' CB ' ' HA2' ' A' ' 28' ' ' GLY . 1.0 OUTLIER 42.37 54.52 4.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.479 ' C ' ' O ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -34.1 118.44 0.51 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.132 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.28 7.48 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.12 -51.43 4.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -49.39 13.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -37.38 -64.28 0.73 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.491 1.12 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.6 p -48.92 128.01 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 0.786 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.9 t -179.44 117.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 109.971 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -105.62 153.27 17.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.12 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 175.24 11.51 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.778 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.8 p -100.83 -65.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.964 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.4 t 57.8 109.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 O-C-N 124.43 1.081 . . . . 0.0 111.014 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.888 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.39 170.39 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.69 140.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.3 162.63 21.9 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.536 1.147 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.42 -60.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 0.744 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.08 155.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.002 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -61.45 178.93 3.85 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -173.65 114.9 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 0.764 . . . . 0.0 111.044 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 64.89 140.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -174.97 88.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -156.45 127.87 3.76 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.94 13.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.538 1.81 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.9 m -149.03 166.68 27.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.05 19.89 7.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 71.63 173.4 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.1 m -107.44 162.72 18.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.023 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -8.95 20.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -84.44 -31.7 24.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.57 -39.48 84.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.63 -29.41 4.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.43 -25.4 1.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.082 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.35 -40.86 37.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.09 -28.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ARG . 55.0 m -57.53 -61.96 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.574 1.172 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' C ' HG21 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -37.84 -42.07 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -40.64 -28.16 0.2 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 111.057 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.416 ' N ' ' C ' ' A' ' 25' ' ' ARG . 13.4 t30 -48.5 -38.44 20.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 0.752 . . . . 0.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.558 ' O ' ' CG ' ' A' ' 29' ' ' GLU . . . 135.43 102.32 0.69 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.6 ' O ' HG23 ' A' ' 96' ' ' ILE . 5.9 mt-10 -169.09 -110.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.344 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.525 ' CE2' ' OE2' ' A' ' 52' ' ' GLU . 50.8 p90 -159.57 160.9 34.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.35 125.93 26.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.559 ' CE3' HD13 ' A' ' 51' ' ' LEU . 53.6 m95 -89.83 127.61 36.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 108.046 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.512 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 32.1 m-85 -115.63 155.92 26.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' HA ' ' O ' ' A' ' 91' ' ' LYS . 24.2 p90 -137.28 149.6 47.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.991 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.74 127.73 31.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -111.35 -141.97 8.77 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 -48.36 6.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 0.77 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -94.01 -58.01 2.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -137.13 -144.65 4.82 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.147 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -90.05 144.35 25.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.433 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 7.9 m95 -121.36 156.93 31.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.1 OUTLIER -97.4 156.11 16.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.318 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.551 ' CD1' HG21 ' A' ' 47' ' ' THR . 47.8 m-85 -84.24 -171.06 3.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -80.19 -66.38 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 176.87 -51.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.453 ' CG ' ' N ' ' A' ' 47' ' ' THR . 31.9 ptt180 -65.15 -49.54 69.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.551 HG21 ' CD1' ' A' ' 43' ' ' TYR . 1.5 m -44.94 -42.3 8.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.442 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.6 m -71.68 -44.79 63.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.032 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -25.59 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -91.28 -37.65 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.559 HD13 ' CE3' ' A' ' 32' ' ' TRP . 85.7 mt -54.41 -52.71 60.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.525 ' OE2' ' CE2' ' A' ' 30' ' ' TYR . 15.0 tt0 -65.13 -55.36 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -44.31 -49.81 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.05 -58.28 5.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.482 ' HA ' HD13 ' A' ' 75' ' ' LEU . 24.6 t80 -42.05 -52.23 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.26 -57.26 13.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.435 ' HE3' ' CE ' ' A' ' 59' ' ' LYS . 4.7 mmmt -47.72 -42.14 24.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.14 -7.68 16.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' CE ' ' HE3' ' A' ' 57' ' ' LYS . 57.5 mttm -48.09 139.68 7.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.781 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.46 ' CG ' ' HG3' ' A' ' 76' ' ' GLU . 4.4 mptt -76.44 -54.93 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -117.49 150.8 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.874 HG22 ' HB3' ' A' ' 73' ' ' ALA . 11.1 t -129.27 141.88 50.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -86.69 114.91 23.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.736 ' SD ' ' HB2' ' A' ' 73' ' ' ALA . 0.5 OUTLIER -125.2 125.54 43.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.088 HD13 HD22 ' A' ' 70' ' ' LEU . 14.7 tp -99.99 112.48 24.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.8 HD12 ' CD2' ' A' ' 71' ' ' TYR . 1.8 mt -100.03 -169.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.79 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -36.5 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 37.24 44.48 1.11 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.557 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 4.5 m-85 -143.85 121.39 11.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.764 . . . . 0.0 111.006 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.088 HD22 HD13 ' A' ' 65' ' ' LEU . 3.3 mm? -78.0 108.36 11.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.8 ' CD2' HD12 ' A' ' 66' ' ' ILE . 15.0 m-85 -119.09 165.37 14.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.036 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.8 m -140.02 132.02 33.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.874 ' HB3' HG22 ' A' ' 62' ' ' THR . . . -99.11 116.62 31.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.52 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 19.2 t0 -100.36 101.78 12.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 55' ' ' PHE . 8.2 mt -70.78 -37.12 73.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.46 ' HG3' ' CG ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -46.55 -43.58 17.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -102.01 -12.49 18.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.422 ' C ' ' CG1' ' A' ' 79' ' ' VAL . 4.3 tpt 70.17 38.1 1.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' CG1' ' C ' ' A' ' 78' ' ' MET . 1.1 m -149.77 146.52 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.428 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 0.0 OUTLIER -112.03 148.7 33.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 3.4 p90 -148.24 159.23 44.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -61.28 144.93 52.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.27 -73.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -75.28 -51.05 14.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.429 ' C ' ' N ' ' A' ' 87' ' ' GLY . 1.5 mm-40 -74.65 60.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.55 -26.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 85' ' ' GLU . . . -49.6 -66.48 2.24 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.954 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 2.4 mmp_? -55.15 113.67 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 0.737 . . . . 0.0 110.283 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.495 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 1.1 ptp180 -152.1 162.58 40.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.322 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.83 150.0 9.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 2.3 mtmm -66.95 155.71 37.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 5.5 pt -132.6 157.75 43.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.47 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -153.65 166.01 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -131.08 109.04 10.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -107.33 116.23 31.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.336 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.793 ' CG2' HG22 ' A' ' 99' ' ' ILE . 56.5 mt -53.76 142.55 6.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.575 ' O ' ' C ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -110.41 136.3 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.575 ' C ' ' O ' ' A' ' 97' ' ' ILE . 42.7 t0 26.16 66.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.793 HG22 ' CG2' ' A' ' 96' ' ' ILE . 0.1 OUTLIER -38.39 136.71 0.85 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 99' ' ' ILE . 18.3 Cg_endo -75.02 173.76 13.95 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.552 1.817 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -98.18 -69.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -29.33 6.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -48.52 -54.04 14.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.445 1.091 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.7 t 63.67 129.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 0.73 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 68.4 m -41.75 -57.32 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.037 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 160.6 131.98 1.29 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -177.35 3.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 111.015 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.3 t -83.33 165.0 19.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.953 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.6 p -91.09 170.4 10.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.118 . . . . 0.0 111.019 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -129.34 158.97 37.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.103 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 178.3 145.89 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.951 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.86 -136.54 3.35 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m 61.1 161.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 0.782 . . . . 0.0 110.059 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.02 143.24 27.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.958 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.34 -119.6 2.92 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 47.09 36.66 4.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.86 -168.38 3.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.2 t70 176.72 58.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -117.99 88.08 30.27 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.249 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 149.35 36.48 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.517 1.798 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.467 HG22 ' N ' ' A' ' 14' ' ' LEU . 56.0 m -142.48 169.52 17.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' N ' HG22 ' A' ' 13' ' ' THR . 0.2 OUTLIER 175.18 126.25 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 pp -49.97 174.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.25 170.42 7.06 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -9.32 20.7 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -90.99 -36.96 13.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.91 -28.75 58.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.8 -44.39 32.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.21 -43.54 77.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.4 -30.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.58 -66.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.0 m -97.68 -60.26 1.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -41.49 -36.08 0.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 110.265 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.509 ' O ' ' CG2' ' A' ' 96' ' ' ILE . . . -45.03 -24.97 0.89 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 111.029 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -57.12 -16.41 7.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -46.66 -76.81 0.12 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.603 ' HB2' HG22 ' A' ' 97' ' ' ILE . 15.1 mm-40 -146.16 -148.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.501 ' CD1' ' NH1' ' A' ' 94' ' ' ARG . 23.5 p90 -141.29 154.01 45.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.804 ' HB2' HD12 ' A' ' 97' ' ' ILE . . . -127.28 173.54 9.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.679 ' HH2' HD22 ' A' ' 75' ' ' LEU . 34.0 m95 -117.78 145.1 44.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 107.996 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 31.2 m-85 -133.68 161.13 35.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 41' ' ' TRP . 31.9 p90 -130.35 156.37 44.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -61.34 109.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -113.97 -160.93 13.84 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 111.022 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.07 -64.82 0.77 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 0.789 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -54.84 -40.01 69.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 163.84 -70.72 0.2 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 85.7 m95 -130.19 126.41 37.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.426 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 6.5 m95 -116.45 150.38 37.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 108.024 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.559 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 2.1 tt0 -89.44 161.02 16.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.46 ' OH ' HG22 ' A' ' 92' ' ' ILE . 48.1 m-85 -89.45 -175.98 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.8 -74.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -176.54 -41.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -70.01 -48.8 56.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -42.63 -54.8 3.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.369 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.7 p -60.1 -40.72 90.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 -29.14 35.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -89.6 -25.96 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.21 -57.38 4.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.89 -50.81 65.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -51.63 -56.79 11.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.21 -63.18 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.685 ' HA ' HD13 ' A' ' 75' ' ' LEU . 26.5 t80 -39.0 -45.16 1.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.8 t -65.79 -56.22 13.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -52.15 -41.05 62.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 116.26 -9.41 17.74 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.029 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.823 ' O ' HD12 ' A' ' 75' ' ' LEU . 22.3 mttm -43.31 123.93 3.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.348 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.94 -55.05 21.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -114.26 141.59 47.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.844 HG22 ' HB3' ' A' ' 73' ' ' ALA . 0.6 OUTLIER -123.04 153.51 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.406 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -110.74 146.99 35.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.307 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.19 120.68 3.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.1 tp -81.47 110.35 16.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.697 HG22 ' H ' ' A' ' 67' ' ' ALA . 3.7 mm -97.94 176.6 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.697 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -38.06 92.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 43.83 50.13 7.35 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 68' ' ' GLY . 11.6 m-85 -166.09 109.78 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 111.034 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.68 HD22 ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -73.07 120.02 18.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.605 ' CD2' HG13 ' A' ' 66' ' ' ILE . 18.8 m-85 -119.46 161.67 20.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.655 HG23 ' CE1' ' A' ' 81' ' ' TYR . 3.2 m -137.11 144.07 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.844 ' HB3' HG22 ' A' ' 62' ' ' THR . . . -111.82 124.05 51.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 78' ' ' MET . 0.7 OUTLIER -98.91 96.99 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 59' ' ' LYS . 21.4 mt -66.85 -29.66 69.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -51.1 -52.05 47.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -102.66 -4.51 25.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 74' ' ' ASP . 0.2 OUTLIER 63.58 55.96 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.627 HG12 ' HG2' ' A' ' 91' ' ' LYS . 2.5 m -138.83 -173.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.488 ' CG ' ' HA ' ' A' ' 73' ' ' ALA . 9.9 mt-30 -152.64 131.67 12.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.655 ' CE1' HG23 ' A' ' 72' ' ' VAL . 1.6 p90 -141.66 156.23 45.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.463 ' CZ ' ' HG3' ' A' ' 88' ' ' ARG . 0.4 OUTLIER -65.34 163.89 14.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.68 ' HG3' HD22 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -73.11 -75.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -66.86 -53.66 30.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 4.5 mm-40 -84.72 83.13 8.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -60.48 -19.3 56.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.575 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.44 -65.02 3.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 82' ' ' ARG . 64.5 mmt-85 -56.8 111.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 0.773 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.5 OUTLIER -162.53 172.05 16.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.61 169.32 10.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 0.0 110.273 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.627 ' HG2' HG12 ' A' ' 79' ' ' VAL . 1.4 tttt -84.08 152.86 24.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.507 HG12 ' CA ' ' A' ' 79' ' ' VAL . 7.8 pt -130.8 153.05 38.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -141.73 161.48 37.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.501 ' NH1' ' CD1' ' A' ' 30' ' ' TYR . 7.0 ttp85 -104.76 116.05 31.35 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.12 . . . . 0.0 110.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -107.68 176.38 5.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 34.0 mm -96.45 143.93 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.804 HD12 ' HB2' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -125.15 161.11 29.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.19 61.58 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.649 HG23 ' HD2' ' A' ' 100' ' ' PRO . 14.2 mt -133.23 141.19 39.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 99' ' ' ILE . 18.5 Cg_endo -74.99 80.66 2.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.537 1.809 . . . . 0.0 111.042 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.09 -39.83 9.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -70.95 -50.32 35.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.155 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -43.99 -67.45 1.06 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 104' ' ' VAL . 31.7 m -76.17 80.06 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.07 104.86 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.975 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -105.72 150.94 17.05 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.423 1.077 . . . . 0.0 111.059 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.49 9.84 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.504 1.792 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.0 t -151.15 145.09 25.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.412 1.07 . . . . 0.0 110.03 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.7 -58.81 1.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.024 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -170.76 123.88 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -169.47 168.62 9.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.025 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.62 144.18 4.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.5 p 178.94 78.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.81 170.58 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.43 151.24 18.38 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -102.96 152.42 21.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.743 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 33.9 mt -131.34 139.55 49.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -160.28 133.71 6.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.353 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.16 168.18 7.84 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.432 ' O ' HG22 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.99 61.89 5.75 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.437 1.756 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.718 HG23 ' N ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER 55.1 -170.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.718 ' N ' HG23 ' A' ' 13' ' ' THR . 0.0 OUTLIER -106.98 -140.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.707 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.2 pp 43.62 -169.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.504 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER 177.71 178.09 0.25 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.997 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.4 Cg_endo -74.98 -11.15 21.5 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -91.05 -15.07 30.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -18.75 56.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.33 -40.73 70.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' C ' ' N ' ' A' ' 23' ' ' ALA . 8.8 mptt -49.91 -24.48 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -40.75 -29.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.34 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' N ' ' C ' ' A' ' 21' ' ' LYS . . . -62.04 -55.0 33.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' LYS . 0.3 OUTLIER -67.54 -45.85 74.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.996 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 21' ' ' LYS . 24.7 mtt-85 -49.32 -23.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.332 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -38.75 -39.22 0.82 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.507 1.129 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -58.9 -58.62 7.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.788 ' HA3' HG22 ' A' ' 97' ' ' ILE . . . 174.89 -74.96 0.08 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 28' ' ' GLY . 3.9 mm-40 73.52 173.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 30' ' ' TYR . 10.0 p90 -45.52 147.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 111.048 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -142.65 133.88 26.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.592 ' CH2' HD22 ' A' ' 75' ' ' LEU . 93.3 m95 -91.31 135.68 33.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.019 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.517 ' CZ ' ' HG3' ' A' ' 42' ' ' GLN . 28.3 m-85 -132.05 132.71 43.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 21.6 p90 -113.26 145.83 40.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.22 133.92 39.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -135.32 -164.1 10.29 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -51.44 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.482 0.754 . . . . 0.0 110.28 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -67.08 -48.21 68.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.67 -76.06 0.09 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.522 1.138 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.585 ' CE3' ' HG2' ' A' ' 93' ' ' LYS . 80.8 m95 -127.58 130.03 48.34 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -119.31 150.03 40.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 108.039 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.3 OUTLIER -91.79 133.86 35.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 51.5 m-85 -60.39 179.62 0.15 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -68.07 -75.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -176.65 -56.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.318 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 49' ' ' ARG . 27.4 ttt180 -61.88 -57.13 12.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.1 m -41.12 -32.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.41 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 51' ' ' LEU . 58.6 m -78.26 -44.63 25.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 0.0 110.05 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 46' ' ' ARG . 93.3 mtt180 -43.26 -31.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -80.85 -40.06 25.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' SER . 19.6 mt -58.34 -66.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -44.04 -45.11 7.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.268 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -52.74 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.98 -64.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.407 ' CE2' ' NH1' ' A' ' 94' ' ' ARG . 30.5 t80 -39.39 -51.01 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.72 -62.0 1.84 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -42.26 -44.86 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.24 -11.21 7.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -48.59 134.25 15.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 0.768 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -82.52 -51.56 7.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -113.66 142.62 45.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.604 ' OG1' ' HB3' ' A' ' 73' ' ' ALA . 5.1 p -121.63 159.49 26.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -115.79 151.03 35.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -159.71 120.87 3.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.95 HD13 HD12 ' A' ' 70' ' ' LEU . 1.8 tp -85.33 126.24 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.735 HG22 ' H ' ' A' ' 67' ' ' ALA . 2.4 mm -118.84 -178.87 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.735 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -37.99 92.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.571 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 40.84 46.82 3.97 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.504 1.127 . . . . 0.0 110.976 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.504 ' CE1' ' NH1' ' A' ' 82' ' ' ARG . 8.5 m-85 -157.48 114.45 2.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 0.741 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.95 HD12 HD13 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -77.07 126.21 30.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CD2' HG13 ' A' ' 66' ' ' ILE . 23.8 m-85 -123.82 159.98 28.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.778 ' CG2' ' CE1' ' A' ' 81' ' ' TYR . 2.2 m -138.8 144.54 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.604 ' HB3' ' OG1' ' A' ' 62' ' ' THR . . . -116.82 110.78 18.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.468 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 22.1 t0 -92.88 104.39 16.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.592 HD22 ' CH2' ' A' ' 32' ' ' TRP . 11.2 mt -74.66 -21.23 59.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.47 -53.27 56.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 78' ' ' MET . 40.1 m-80 -100.69 -3.58 29.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.444 ' C ' ' CG1' ' A' ' 92' ' ' ILE . 0.0 OUTLIER 66.23 47.7 1.79 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.419 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.3 m -150.97 144.7 16.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.31 149.64 35.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.778 ' CE1' ' CG2' ' A' ' 72' ' ' VAL . 1.4 p90 -148.36 159.29 44.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.504 ' NH1' ' CE1' ' A' ' 69' ' ' PHE . 0.0 OUTLIER -69.77 134.09 48.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.865 ' HD3' HD23 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -56.47 -68.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.579 1.175 . . . . 0.0 110.304 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -54.83 -57.61 10.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 19.8 mp0 -101.43 98.57 8.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -64.81 -16.89 63.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.596 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.61 -66.34 2.73 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -57.64 113.22 1.72 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 0.798 . . . . 0.0 110.269 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.18 164.0 38.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -159.75 157.57 29.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 4.4 mttt -76.07 156.05 34.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.444 ' CG1' ' C ' ' A' ' 78' ' ' MET . 7.7 pt -134.81 144.25 35.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.585 ' HG2' ' CE3' ' A' ' 40' ' ' TRP . 0.0 OUTLIER -143.05 142.25 31.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.407 ' NH1' ' CE2' ' A' ' 55' ' ' PHE . 14.1 ttp180 -107.22 105.43 15.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.426 ' O ' ' HA ' ' A' ' 30' ' ' TYR . 11.2 t0 -100.37 -172.43 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.7 mt -127.26 133.25 68.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 109.253 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.788 HG22 ' HA3' ' A' ' 28' ' ' GLY . 11.8 mm -105.02 148.95 8.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.2 t0 175.86 92.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.518 ' N ' HD13 ' A' ' 99' ' ' ILE . 0.1 OUTLIER -56.07 113.91 6.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 59.98 5.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.425 1.75 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.03 -64.29 1.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.08 -60.48 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -38.2 -68.23 0.45 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.7 p -123.02 150.62 27.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.83 83.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.07 156.47 14.78 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.113 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 178.64 7.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.787 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.82 115.33 17.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.1 163.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.999 -0.423 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.7 -64.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.6 161.7 1.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.58 -140.43 3.55 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.17 134.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 110.062 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 172.39 152.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.68 128.16 1.79 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 8' ' ' PHE . 8.8 p90 -176.78 103.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 0.748 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 mt -159.33 115.95 2.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 178.26 138.63 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.39 67.04 0.44 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 165.73 30.7 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.575 ' O ' HD12 ' A' ' 14' ' ' LEU . 94.0 m -101.75 166.04 10.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' ' 13' ' ' THR . 0.1 OUTLIER 175.61 107.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 pp -62.21 -167.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.446 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -144.81 175.06 2.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.162 . . . . 0.0 110.004 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.446 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.2 Cg_endo -75.0 -11.85 21.48 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.54 1.81 . . . . 0.0 111.038 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -86.41 -39.6 16.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.667 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -52.28 -36.67 53.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 110.268 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.69 -48.6 69.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -53.23 -34.76 58.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -53.34 -37.84 62.69 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.246 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.76 -47.4 66.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.31 -34.29 1.89 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.014 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -50.27 -37.75 37.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' ' 97' ' ' ILE . . . -53.05 -18.82 6.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -55.26 -29.81 58.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.494 ' HA2' ' CB ' ' A' ' 98' ' ' ASP . . . 127.17 109.06 1.56 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.517 ' CG ' ' N ' ' A' ' 30' ' ' TYR . 18.1 tt0 171.19 160.88 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 0.796 . . . . 0.0 110.286 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.517 ' N ' ' CG ' ' A' ' 29' ' ' GLU . 18.7 p90 -60.12 146.13 44.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.81 144.83 25.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.625 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 40.6 m95 -101.79 150.61 22.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 107.948 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.453 ' OH ' HD11 ' A' ' 97' ' ' ILE . 41.0 m-85 -134.53 134.92 41.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 20.8 p90 -116.35 140.83 48.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.62 110.39 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -108.14 -169.3 21.4 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -61.95 1.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -58.25 -40.17 81.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.01 -70.97 0.1 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -131.27 127.62 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.449 ' HA ' ' CE3' ' A' ' 41' ' ' TRP . 4.3 m95 -113.49 145.02 41.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 107.992 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -86.81 162.53 17.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -90.44 -170.43 2.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.32 -69.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.2 tt0 175.69 -51.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.263 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -71.61 -54.52 10.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.122 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.7 m -41.17 -46.57 3.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.45 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.569 ' HA ' HD12 ' A' ' 51' ' ' LEU . 77.5 p -70.79 -44.14 67.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -48.12 -33.61 8.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -75.49 -31.66 60.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.569 HD12 ' HA ' ' A' ' 48' ' ' SER . 62.4 mt -61.58 -44.93 96.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -65.59 -63.18 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -41.44 -45.39 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.45 -64.7 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -43.21 -48.05 6.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.58 -62.88 1.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -44.51 -33.96 1.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 60' ' ' LYS . . . 120.73 -8.68 10.78 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.534 1.146 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.685 ' O ' HD23 ' A' ' 75' ' ' LEU . 8.9 mttp -51.92 94.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 0.805 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -42.21 -28.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.277 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.803 ' HA ' HD22 ' A' ' 75' ' ' LEU . 15.5 p30 -163.11 148.11 11.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.3 t -124.86 144.2 50.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.394 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.484 ' HG3' HG13 ' A' ' 72' ' ' VAL . 7.4 mp0 -94.77 126.6 40.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.674 ' O ' HD23 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -118.59 166.94 12.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.9 tp -124.83 107.2 10.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.569 HG22 ' N ' ' A' ' 67' ' ' ALA . 19.8 mm -87.29 170.9 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.569 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -42.77 92.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 52.83 47.93 58.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.145 . . . . 0.0 110.993 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -164.56 99.91 0.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 0.782 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.899 HD13 ' HD2' ' A' ' 83' ' ' ARG . 0.9 OUTLIER -67.38 121.31 15.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CD2' HG13 ' A' ' 66' ' ' ILE . 9.9 m-85 -121.09 165.71 14.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.5 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 23.0 t -133.66 121.11 39.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.56 ' HB2' ' SD ' ' A' ' 64' ' ' MET . . . -101.56 120.93 41.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.489 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 42.8 t0 -104.71 125.55 50.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.803 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.3 OUTLIER -92.3 -33.88 14.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 74' ' ' ASP . 1.9 mt-10 -51.33 -43.45 61.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.276 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 78' ' ' MET . 3.4 m-80 -102.1 -8.95 20.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.408 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 62.69 49.13 3.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.975 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.469 ' N ' HG12 ' A' ' 92' ' ' ILE . 2.9 m -139.13 178.5 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.501 ' O ' ' HA ' ' A' ' 89' ' ' ARG . 5.0 mt-30 -143.96 119.0 10.02 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.5 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 9.2 p90 -128.4 143.57 51.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 85' ' ' GLU . 0.8 OUTLIER -49.8 165.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.899 ' HD2' HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -83.63 -53.64 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.277 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.07 -44.74 16.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.558 1.161 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -102.81 78.19 1.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -55.19 -28.78 55.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.54 -54.11 11.44 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.464 1.102 . . . . 0.0 110.97 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.416 ' NH1' ' HB3' ' A' ' 88' ' ' ARG . 14.1 mtp-105 -71.52 111.89 7.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.501 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 0.1 OUTLIER -153.44 173.34 15.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.68 169.3 23.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -88.26 135.2 33.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.512 HD12 ' CE3' ' A' ' 32' ' ' TRP . 6.7 pt -124.37 147.71 28.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -143.5 137.21 28.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.414 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 25.6 ttp180 -95.83 111.25 23.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.65 145.9 47.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.467 ' HA ' ' HA ' ' A' ' 30' ' ' TYR . 13.7 mt -87.52 136.97 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.489 ' O ' ' C ' ' A' ' 98' ' ' ASP . 3.0 mm -103.15 144.87 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.494 ' CB ' ' HA2' ' A' ' 28' ' ' GLY . 0.1 OUTLIER 33.51 55.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.323 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.652 ' N ' HD13 ' A' ' 99' ' ' ILE . 0.2 OUTLIER -37.21 122.79 0.87 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -171.81 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.498 1.789 . . . . 0.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -77.79 -34.27 52.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -11.53 59.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.34 -60.36 7.21 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.2 p -64.43 141.17 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.547 0.792 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.4 t -159.87 173.29 16.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.005 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -113.66 106.81 1.81 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 179.41 6.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.528 1.804 . . . . 0.0 110.98 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.4 p -149.26 171.15 16.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.43 -59.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.41 1.069 . . . . 0.0 110.947 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 p -170.51 170.54 6.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.1 160.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.55 132.02 2.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.53 1.143 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.86 171.12 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 0.719 . . . . 0.0 110.018 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.83 169.99 20.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.68 -177.18 38.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -177.54 148.53 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.66 174.68 14.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -177.93 154.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -149.02 120.51 4.24 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -175.35 2.31 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.3 p -113.24 -174.33 2.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -107.37 3.22 25.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.37 176.82 7.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.17 169.53 6.98 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.999 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -12.92 21.57 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.446 1.761 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -83.07 -43.91 15.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 6.3 mt-10 -60.29 -38.1 82.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.554 ' C ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -65.72 -55.51 16.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -54.61 -39.46 67.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -44.39 -54.52 5.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.95 -41.81 16.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -52.11 12.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.95 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.563 ' O ' HG22 ' A' ' 96' ' ' ILE . 97.5 mtt180 -44.49 -27.09 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.95 -48.3 73.96 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -100.81 -4.91 27.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -59.07 -83.31 0.05 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.22 -172.07 3.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 0.768 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -125.63 152.09 45.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.566 ' HB3' HG13 ' A' ' 97' ' ' ILE . . . -131.73 150.38 52.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.555 ' CZ3' HD12 ' A' ' 75' ' ' LEU . 58.7 m95 -94.0 136.02 34.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.016 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.514 ' CE2' ' HG3' ' A' ' 42' ' ' GLN . 14.8 m-85 -124.39 154.3 40.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CB ' HG22 ' A' ' 92' ' ' ILE . 17.0 p90 -141.05 141.62 34.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HA ' ' O ' ' A' ' 39' ' ' GLY . 0.7 OUTLIER -46.61 116.98 1.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.151 . . . . 0.0 110.277 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -117.12 -157.23 10.73 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -64.26 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 0.802 . . . . 0.0 110.252 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -56.04 -44.6 78.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . 174.92 -70.63 0.09 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -132.26 118.38 19.41 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -106.82 145.9 31.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 107.981 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.514 ' HG3' ' CE2' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -90.63 132.35 35.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.676 ' OH ' HG21 ' A' ' 92' ' ' ILE . 60.9 m-85 -50.47 178.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.425 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 33.4 m-20 -64.18 -74.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 7.0 tt0 165.99 -28.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 110.297 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HG3' ' N ' ' A' ' 47' ' ' THR . 5.0 ptp180 -80.78 -31.71 35.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.496 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 1.5 m -69.75 -60.74 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.403 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 51' ' ' LEU . 0.1 OUTLIER -39.79 -42.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.994 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -40.31 -29.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 48' ' ' SER . 41.1 mm-40 -94.36 -37.53 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HB3' ' CD2' ' A' ' 32' ' ' TRP . 3.9 mp -52.88 -46.81 68.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 53' ' ' ASP . 11.3 pt-20 -71.2 -52.7 17.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.432 ' N ' ' CG ' ' A' ' 52' ' ' GLU . 2.7 m-20 -48.65 -56.61 8.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 59' ' ' LYS . . . -56.69 -66.64 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -38.26 -36.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.9 t -80.22 -61.27 2.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -45.45 -43.26 11.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.21 -16.98 4.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.662 ' O ' HD23 ' A' ' 75' ' ' LEU . 41.4 mttm -44.4 105.13 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 0.751 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -50.99 -23.58 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.798 ' HA ' HD22 ' A' ' 75' ' ' LEU . 20.0 p30 -164.51 150.0 10.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.9 t -128.37 148.02 50.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 110.377 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -90.2 166.84 13.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.33 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.641 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -164.8 114.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.002 HD13 HD12 ' A' ' 70' ' ' LEU . 8.4 tp -84.97 102.0 12.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.961 HD12 ' CD2' ' A' ' 71' ' ' TYR . 3.6 mt -90.01 -177.05 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.8 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -38.55 93.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 42.51 47.41 5.79 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.488 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 10.5 m-85 -155.46 105.69 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.002 HD12 HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -73.4 109.63 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.961 ' CD2' HD12 ' A' ' 66' ' ' ILE . 14.5 m-85 -109.89 159.47 17.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.528 ' HB ' ' CE1' ' A' ' 81' ' ' TYR . 47.0 t -136.78 116.13 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.641 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -99.9 121.14 40.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.537 ' HA ' ' CB ' ' A' ' 61' ' ' ASN . 43.6 t0 -101.88 133.81 46.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.798 HD22 ' HA ' ' A' ' 61' ' ' ASN . 0.3 OUTLIER -94.42 -36.46 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.276 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.01 -43.72 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -101.7 -9.31 20.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.49 55.33 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.543 HG23 ' N ' ' A' ' 80' ' ' GLN . 1.0 OUTLIER -146.53 -170.5 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.543 ' N ' HG23 ' A' ' 79' ' ' VAL . 2.9 pt20 -156.59 122.18 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.32 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.528 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 11.6 p90 -123.6 157.61 33.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -72.9 128.59 35.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.481 ' HG2' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -47.09 -73.41 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.67 -58.56 5.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.455 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -102.53 102.31 12.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.494 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 5.2 t-160 -69.23 -25.98 64.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.595 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.16 -63.07 3.85 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.031 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.03 115.88 5.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.457 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 2.8 ptm180 -163.42 160.49 23.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -141.62 165.89 26.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -88.22 143.75 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.676 HG21 ' OH ' ' A' ' 43' ' ' TYR . 19.8 pt -120.66 161.94 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 pttt -154.07 141.31 19.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -91.25 114.35 26.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.325 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -107.52 173.82 6.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.999 ' O ' HD13 ' A' ' 97' ' ' ILE . 39.9 mt -104.33 129.51 56.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.999 HD13 ' O ' ' A' ' 96' ' ' ILE . 8.1 mm -136.54 -178.79 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.779 ' H ' HG22 ' A' ' 97' ' ' ILE . 0.1 OUTLIER -92.26 -66.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.163 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 0.2 OUTLIER 60.57 145.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 99' ' ' ILE . 18.3 Cg_endo -75.0 76.54 3.37 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.541 1.811 . . . . 0.0 110.985 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -54.48 23.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.18 -48.76 34.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -42.65 -53.81 5.1 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 104' ' ' VAL . 11.3 m -92.03 114.71 29.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 0.735 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.3 t -158.7 136.4 10.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -150.84 88.07 0.14 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.459 1.099 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.8 4.05 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.518 1.799 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.15 168.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 74.4 p -160.11 168.36 25.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.009 -0.419 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 p 178.07 122.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.947 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.83 169.13 2.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.4 149.02 14.91 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.39 169.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.978 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.5 t -176.65 162.36 2.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.26 139.65 4.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -172.67 135.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.28 125.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -152.6 168.73 24.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.09 148.71 17.92 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 163.66 34.82 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.554 1.818 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.8 m -148.46 160.33 43.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.614 ' N ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -144.12 167.4 22.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 pp -46.97 164.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.409 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -101.7 172.9 3.98 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.013 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.4 Cg_endo -75.01 -11.53 21.45 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.491 1.785 . . . . 0.0 110.974 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -89.03 -47.49 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.699 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -42.48 -49.11 5.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.269 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.92 -51.88 15.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -35.46 75.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.699 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -50.43 -38.63 44.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.59 -31.24 65.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.89 -25.02 67.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' HA ' ' CG ' ' A' ' 29' ' ' GLU . 2.2 mmt85 -93.44 -22.95 18.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.448 ' O ' ' OD1' ' A' ' 98' ' ' ASP . . . -70.91 -1.38 39.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -86.55 -4.12 59.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 0.803 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.563 ' CA ' ' OD2' ' A' ' 98' ' ' ASP . . . 107.39 108.28 3.26 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' O ' ' HB ' ' A' ' 97' ' ' ILE . 0.4 OUTLIER -173.24 152.03 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.578 0.811 . . . . 0.0 110.304 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.471 ' CD1' ' C ' ' A' ' 30' ' ' TYR . 1.9 p90 -60.35 166.48 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -166.8 149.12 6.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.587 ' CH2' HD22 ' A' ' 75' ' ' LEU . 48.5 m95 -102.18 149.27 24.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 107.994 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.565 ' OH ' HD11 ' A' ' 97' ' ' ILE . 31.6 m-85 -131.58 150.0 52.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 9.6 p90 -135.58 147.0 48.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.481 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -37.6 136.19 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -121.87 -171.07 13.95 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.507 1.13 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.83 -32.09 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -101.04 -47.13 4.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.236 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -155.13 -101.76 0.19 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -117.74 131.21 56.63 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.485 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 10.0 m95 -109.5 140.11 43.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.494 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 0.0 OUTLIER -90.76 155.62 18.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 0.0 110.264 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.541 ' CE2' ' CD1' ' A' ' 51' ' ' LEU . 49.0 m-85 -78.89 -176.58 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -77.98 -66.71 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 177.36 -36.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -79.47 -53.89 6.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.278 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 22.5 m -47.14 -38.38 11.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.3 p -74.92 -42.45 57.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.987 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -24.05 17.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -90.56 -20.87 22.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.619 HD23 HG21 ' A' ' 62' ' ' THR . 77.1 mt -75.69 -38.6 58.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.58 -54.99 6.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -45.62 -49.54 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.25 -68.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -40.19 -45.0 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -66.54 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -41.37 -43.72 2.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 132.36 -11.41 5.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -59.64 111.93 1.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 3.8 pttt -63.31 -46.45 86.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -110.68 151.26 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.619 HG21 HD23 ' A' ' 51' ' ' LEU . 4.8 t -140.69 119.88 12.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.105 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -81.95 126.25 31.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 110.322 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.558 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -130.58 125.69 34.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.995 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.9 tp -87.61 115.2 24.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.693 HG22 ' H ' ' A' ' 67' ' ' ALA . 4.9 mm -97.77 176.46 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.693 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -40.84 93.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 46.98 47.32 19.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -160.87 101.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 0.787 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.629 HD13 ' HD2' ' A' ' 83' ' ' ARG . 0.7 OUTLIER -69.21 124.87 24.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.564 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.3 m-85 -124.81 163.53 21.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.405 ' CG2' ' HG3' ' A' ' 83' ' ' ARG . 98.7 t -138.62 115.07 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.558 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -90.87 115.41 27.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.476 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 7.8 t0 -99.79 107.96 20.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.587 HD22 ' CH2' ' A' ' 32' ' ' TRP . 15.7 mt -75.7 -28.1 58.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.36 -47.64 56.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.432 1.083 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.453 ' O ' HG13 ' A' ' 79' ' ' VAL . 21.4 m120 -101.61 -5.64 24.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 tpt 66.43 38.62 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.533 HG12 ' HG2' ' A' ' 91' ' ' LYS . 0.9 OUTLIER -145.54 147.53 18.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -113.72 137.89 51.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.301 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 3.3 p90 -133.23 150.7 51.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -59.88 135.51 57.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.329 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.629 ' HD2' HD13 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -52.16 -57.51 9.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -81.71 -49.81 10.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 2.7 tt0 -89.47 72.73 7.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -53.86 -34.5 59.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.586 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.78 -50.76 25.38 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -72.54 113.3 9.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.87 166.92 29.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -153.48 156.4 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.533 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -74.81 153.14 38.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.439 HD11 HD23 ' A' ' 75' ' ' LEU . 6.8 pt -132.63 152.99 37.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -155.28 135.15 12.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 -93.37 121.85 35.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.01 175.16 9.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 1.091 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.74 HG21 ' HA ' ' A' ' 100' ' ' PRO . 1.1 mm -102.16 151.79 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.565 HD11 ' OH ' ' A' ' 33' ' ' TYR . 2.9 mm -116.47 137.36 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.563 ' OD2' ' CA ' ' A' ' 28' ' ' GLY . 7.5 t70 59.41 69.19 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 3.6 mm 66.86 130.3 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.74 ' HA ' HG21 ' A' ' 96' ' ' ILE . 18.3 Cg_endo -75.04 119.68 5.74 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.468 1.773 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.522 ' H ' HG21 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -98.25 -54.9 2.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 19.0 ptmt -90.92 -47.69 7.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -37.39 -63.43 0.81 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.3 t -83.69 101.18 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 t -157.6 148.44 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.0 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.43 140.34 20.39 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.56 1.163 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -173.43 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.45 1.763 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.72 159.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.011 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.8 m -131.11 136.64 48.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.93 166.11 34.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.977 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.81 165.29 18.49 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.74 -147.88 10.27 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.83 168.28 2.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.14 161.87 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.999 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.38 142.81 4.29 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.546 1.153 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -171.45 61.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 0.763 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.56 170.46 7.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 171.99 132.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -134.36 146.97 61.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 18.3 Cg_endo -75.02 179.45 6.08 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.558 1.82 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 14' ' ' LEU . 1.4 t -91.56 174.52 7.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' O ' HD23 ' A' ' 14' ' ' LEU . 1.4 tt 74.84 21.5 2.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 16' ' ' SER . 4.6 pp 39.68 -161.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.482 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -127.27 175.11 3.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.954 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.445 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.0 Cg_endo -75.02 -16.32 20.22 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -73.43 -31.55 63.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.343 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.71 -11.93 56.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.83 -50.68 7.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -70.53 -26.88 63.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.83 -28.09 14.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.33 71.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' LYS . 1.3 m -79.48 -32.19 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -68.0 -13.77 62.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -57.51 -15.62 18.18 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.407 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 18.6 p-10 -67.42 -10.05 47.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 177.9 90.87 0.08 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.441 ' O ' ' HB ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -170.23 149.56 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.407 ' CE1' ' CB ' ' A' ' 52' ' ' GLU . 33.7 p90 -62.17 162.24 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.984 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.98 153.98 21.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.933 ' CH2' HD22 ' A' ' 75' ' ' LEU . 37.8 m95 -112.08 152.52 28.14 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.523 ' OH ' HD11 ' A' ' 97' ' ' ILE . 37.7 m-85 -133.43 155.13 50.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.986 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 41' ' ' TRP . 21.5 p90 -137.83 136.35 37.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -37.91 109.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.434 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -100.24 -158.82 28.16 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -82.24 -45.75 14.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 0.735 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -77.88 -41.19 37.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -173.73 -81.84 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.477 1.11 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -128.64 118.74 23.44 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.554 ' O ' ' CD1' ' A' ' 34' ' ' TYR . 4.6 m95 -98.1 143.92 28.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 33' ' ' TYR . 1.3 tt0 -94.08 121.89 36.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.248 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 34' ' ' TYR . 90.6 m-85 -42.25 -61.93 1.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.8 t0 174.11 -78.93 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -178.78 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -81.27 -60.31 2.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.251 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.2 m -45.87 -38.03 6.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 p -77.27 -36.31 54.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 110.013 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.59 -20.54 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -91.14 -34.31 15.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.424 HD23 HG21 ' A' ' 62' ' ' THR . 58.6 mt -60.77 -35.75 77.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' CB ' ' CE1' ' A' ' 30' ' ' TYR . 3.7 tp10 -71.93 -55.33 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -47.44 52.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.349 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.2 -70.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.689 ' HB2' HD13 ' A' ' 75' ' ' LEU . 13.8 t80 -45.85 -30.66 1.78 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.1 t -77.86 -63.35 1.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -44.56 -40.8 6.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 139.96 -13.62 3.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -66.63 111.31 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.622 ' O ' HD12 ' A' ' 75' ' ' LEU . 69.3 mmtt -76.68 -46.12 26.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.18 114.56 28.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.424 HG21 HD23 ' A' ' 51' ' ' LEU . 9.0 t -115.37 119.55 36.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 72' ' ' VAL . 2.1 mp0 -91.45 137.17 32.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.26 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.588 ' HE1' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -130.97 123.77 29.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 110.98 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 70' ' ' LEU . 8.4 tt -86.76 101.18 13.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.569 HG22 ' N ' ' A' ' 67' ' ' ALA . 39.8 mm -78.95 170.07 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.569 ' N ' HG22 ' A' ' 66' ' ' ILE . . . -45.92 90.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 59.37 44.7 96.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.047 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.456 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -160.09 96.28 1.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.632 ' CD2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -67.55 107.53 2.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.614 ' CE1' ' CG ' ' A' ' 82' ' ' ARG . 9.2 m-85 -107.61 156.08 19.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.412 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 27.4 t -131.91 124.66 53.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.588 ' HB2' ' HE1' ' A' ' 64' ' ' MET . . . -107.36 111.07 23.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.9 116.47 29.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.933 HD22 ' CH2' ' A' ' 32' ' ' TRP . 2.8 mt -88.55 -32.11 18.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.486 ' CG ' ' HB3' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -57.05 -39.64 75.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -101.36 -2.91 29.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.46 42.19 24.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.853 HG22 ' HA ' ' A' ' 91' ' ' LYS . 2.7 t -142.16 167.52 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.557 ' N ' ' CG1' ' A' ' 79' ' ' VAL . 9.3 pt20 -137.86 134.21 34.82 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.401 ' CE1' ' HB ' ' A' ' 72' ' ' VAL . 8.3 p90 -139.87 156.95 46.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.614 ' CG ' ' CE1' ' A' ' 71' ' ' TYR . 26.6 mtt180 -81.61 138.49 35.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.54 -59.1 5.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -64.8 -51.67 60.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -95.58 70.12 3.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.303 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -43.52 -41.74 4.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.567 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.01 -58.16 11.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.596 1.185 . . . . 0.0 111.034 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.81 110.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.293 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 80' ' ' GLN . 3.6 ptm180 -159.08 174.31 15.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -169.08 156.24 7.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.853 ' HA ' HG22 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -69.33 153.89 42.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.432 HD12 ' CZ3' ' A' ' 32' ' ' TRP . 3.5 pt -138.47 147.68 25.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 pttt -147.68 135.55 21.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.488 ' NH1' ' CE1' ' A' ' 55' ' ' PHE . 31.9 ttp180 -93.48 122.82 36.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.71 169.2 15.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.5 mt -100.66 138.25 25.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.523 HD11 ' OH ' ' A' ' 33' ' ' TYR . 2.9 mm -107.74 149.02 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 39.7 t0 174.62 66.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.739 HG23 ' HD2' ' A' ' 100' ' ' PRO . 3.2 mt 63.97 142.58 0.07 OUTLIER Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.739 ' HD2' HG23 ' A' ' 99' ' ' ILE . 18.4 Cg_endo -74.98 51.87 2.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.552 1.817 . . . . 0.0 111.059 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -98.12 -46.94 5.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -61.24 -29.38 69.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -36.99 -65.15 0.6 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.5 m -82.44 -34.98 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.82 -172.85 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -152.4 -94.89 0.11 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 141.91 27.33 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.474 1.776 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 69.8 p -160.44 167.32 27.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.01 138.27 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.945 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.85 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.62 129.09 16.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 109.979 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -101.99 81.21 2.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.24 107.36 0.49 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -174.99 171.52 3.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 110.009 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.9 m -153.05 158.86 42.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.563 ' C ' ' CD1' ' A' ' 8' ' ' PHE . . . -147.85 -148.28 4.71 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.563 ' CD1' ' C ' ' A' ' 7' ' ' GLY . 2.5 m-85 -160.23 61.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 176.94 118.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER 171.91 165.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -177.47 95.91 0.23 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' O ' ' HB ' ' A' ' 13' ' ' THR . 18.4 Cg_endo -75.02 163.48 35.22 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 110.995 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 14' ' ' LEU . 2.5 t -178.1 -55.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.488 ' N ' HG23 ' A' ' 13' ' ' THR . 0.1 OUTLIER -90.24 18.24 6.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 16' ' ' SER . 1.2 mt 71.91 -108.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.592 ' CB ' ' CD ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER 85.55 -176.64 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.963 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.592 ' CD ' ' CB ' ' A' ' 16' ' ' SER . 18.2 Cg_endo -75.01 -8.01 19.67 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.482 1.78 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -91.46 -18.06 24.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 15' ' ' LEU . 11.0 tm-20 -77.17 -26.56 53.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.415 ' C ' ' N ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -60.34 -33.62 72.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 24' ' ' SER . 0.0 OUTLIER -41.7 -29.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 20' ' ' LEU . . . -47.17 -62.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.4 -23.03 22.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 26' ' ' GLY . 0.9 OUTLIER -72.13 -8.26 53.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 27' ' ' ASN . 15.2 ptt180 -39.6 -29.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' SER . . . -38.21 -30.43 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -52.68 -61.84 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.98 71.78 0.84 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.508 1.13 . . . . 0.0 111.019 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.484 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 23.2 mm-40 -108.2 88.88 2.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.603 ' CE2' ' HD2' ' A' ' 94' ' ' ARG . 0.1 OUTLIER -43.19 147.12 0.38 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.679 ' HB3' ' CG1' ' A' ' 97' ' ' ILE . . . -158.9 127.96 5.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.499 ' CE2' ' HB2' ' A' ' 94' ' ' ARG . 29.6 m95 -105.65 137.04 44.17 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.482 ' HB2' ' CG ' ' A' ' 93' ' ' LYS . 33.4 m-85 -115.95 159.42 21.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 28.8 p90 -137.85 154.88 49.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -44.13 99.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.535 ' HA3' ' CD1' ' A' ' 41' ' ' TRP . . . -98.28 163.4 21.0 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -47.48 66.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 0.763 . . . . 0.0 110.276 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.1 -32.24 64.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.79 -67.75 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 90.9 m95 -135.15 131.93 37.42 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.535 ' CD1' ' HA3' ' A' ' 36' ' ' GLY . 9.2 m95 -121.45 136.34 54.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 107.989 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -75.28 149.98 38.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.258 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.514 ' OH ' HG22 ' A' ' 92' ' ' ILE . 33.2 m-85 -80.96 -175.32 5.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' HB2' ' A' ' 45' ' ' GLU . 3.2 t70 -73.0 -86.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.416 1.072 . . . . 0.0 109.34 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.527 ' OE1' ' CE2' ' A' ' 8' ' ' PHE . 10.3 tt0 177.54 -33.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 49' ' ' ARG . 14.0 ptp180 -67.86 -38.41 83.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.47 ' O ' HD13 ' A' ' 51' ' ' LEU . 1.7 m -74.91 -64.88 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.4 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.681 ' HA ' HD22 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -39.98 -33.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.012 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -49.91 -30.16 9.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' CG ' HD12 ' A' ' 51' ' ' LEU . 6.1 pt-20 -94.63 -36.19 11.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.681 HD22 ' HA ' ' A' ' 48' ' ' SER . 2.8 mp -48.05 -50.59 27.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 53' ' ' ASP . 12.6 pt-20 -68.97 -52.76 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.434 ' N ' ' HG3' ' A' ' 52' ' ' GLU . 5.9 m-20 -42.65 -59.59 1.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.49 ' HB1' ' HB2' ' A' ' 59' ' ' LYS . . . -60.09 -67.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.543 ' HB2' HD13 ' A' ' 75' ' ' LEU . 35.3 t80 -37.31 -52.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -66.22 -61.86 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -41.73 -36.45 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.95 -10.16 8.93 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.49 ' HB2' ' HB1' ' A' ' 54' ' ' ALA . 9.7 mttm -46.8 148.99 0.91 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.82 -54.91 3.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -121.35 152.83 38.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.5 t -147.21 121.02 9.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 72' ' ' VAL . 6.5 pt-20 -94.63 135.55 35.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.517 ' CE ' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -126.95 152.68 46.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.996 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.686 HD13 HD22 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -103.23 101.75 11.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.603 HG22 ' H ' ' A' ' 67' ' ' ALA . 16.4 mm -87.15 173.26 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.603 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -39.08 92.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 46.48 49.93 14.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.552 1.157 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.433 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 1.5 m-85 -159.48 113.33 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 0.775 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.686 HD22 HD13 ' A' ' 65' ' ' LEU . 4.5 mm? -76.33 115.69 16.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.521 ' CD2' HG13 ' A' ' 66' ' ' ILE . 13.0 m-85 -116.35 152.75 33.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.464 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 90.9 t -129.78 112.88 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.517 ' HB2' ' CE ' ' A' ' 64' ' ' MET . . . -99.22 111.43 23.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -99.2 119.41 37.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.543 HD13 ' HB2' ' A' ' 55' ' ' PHE . 50.8 mt -82.93 -30.88 28.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.82 -47.19 42.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.15 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.431 ' O ' ' HB2' ' A' ' 78' ' ' MET . 17.2 m120 -100.84 -9.12 21.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.431 ' HB2' ' O ' ' A' ' 77' ' ' ASN . 0.0 OUTLIER 65.28 47.07 2.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.966 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.416 ' CG1' ' C ' ' A' ' 78' ' ' MET . 2.5 m -150.94 149.56 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.436 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 2.0 pt20 -117.84 132.81 56.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.442 ' CE1' ' CG1' ' A' ' 72' ' ' VAL . 1.7 p90 -130.19 155.71 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -62.48 127.47 31.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.461 ' HG3' ' CG2' ' A' ' 72' ' ' VAL . 0.9 OUTLIER -45.34 -67.83 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -63.85 -59.81 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 82' ' ' ARG . 1.0 OUTLIER -88.29 85.06 6.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -59.44 -24.11 63.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.575 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.61 -62.74 4.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.43 1.081 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' TYR . 17.7 mtp180 -61.24 112.31 2.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 0.784 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.426 ' HA ' ' HA ' ' A' ' 81' ' ' TYR . 1.4 ptt-85 -147.71 152.92 38.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 65.2 mtm-85 -143.12 150.25 39.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.321 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.28 154.88 41.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.514 HG22 ' OH ' ' A' ' 43' ' ' TYR . 4.8 pt -140.63 155.71 22.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.482 ' CG ' ' HB2' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -152.18 159.87 43.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.603 ' HD2' ' CE2' ' A' ' 30' ' ' TYR . 9.4 ttp-105 -119.5 134.01 55.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -148.89 165.22 32.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.719 ' O ' HD13 ' A' ' 97' ' ' ILE . 25.8 mt -106.81 137.28 38.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.254 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.719 HD13 ' O ' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -133.19 -155.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.484 ' HA ' ' CG ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -146.71 -46.01 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.448 HG23 ' HD2' ' A' ' 100' ' ' PRO . 2.3 mt 70.18 138.09 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.128 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.448 ' HD2' HG23 ' A' ' 99' ' ' ILE . 18.1 Cg_endo -75.04 151.82 39.81 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.08 -19.33 18.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 103' ' ' GLY . 4.9 tptt -68.41 -56.35 8.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 102' ' ' LYS . . . -37.61 -46.84 1.61 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.152 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.8 t -152.48 98.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.77 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.48 152.32 22.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -148.92 -137.19 2.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 170.22 20.9 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.514 1.797 . . . . 0.0 110.979 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.5 p -133.6 142.81 48.29 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.966 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.4 t -114.77 123.41 49.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.978 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.921 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.35 150.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.032 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 p -176.49 167.57 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.952 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.46 164.55 30.69 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -158.69 169.34 24.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 0.757 . . . . 0.0 109.995 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.89 169.75 4.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.85 -179.58 25.79 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 56.41 105.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 mt -146.03 157.22 43.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.243 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.92 101.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 4.7 mttt -157.6 132.91 5.64 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 18.4 Cg_endo -75.02 -37.49 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.438 1.757 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 94.6 m 65.35 161.58 0.13 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.545 1.153 . . . . 0.0 110.361 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.94 127.12 0.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 pp -45.48 167.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.409 ' HB3' ' HD2' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -103.27 167.14 10.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.963 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD2' ' HB3' ' A' ' 16' ' ' SER . 18.3 Cg_endo -75.01 -9.0 20.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -88.2 -20.33 25.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -72.94 -28.67 62.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.643 ' O ' HD12 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -63.23 -45.85 89.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.32 -41.46 63.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 19' ' ' GLU . . . -44.16 -59.42 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -41.31 -56.33 2.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -60.64 -58.06 10.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.006 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' CA ' ' HD3' ' A' ' 100' ' ' PRO . 41.8 mtt-85 -38.59 -41.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.595 ' O ' HG22 ' A' ' 96' ' ' ILE . . . -42.98 -25.08 0.31 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 25' ' ' ARG . 1.1 t30 -45.54 -24.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.563 0.802 . . . . 0.0 109.343 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.451 ' N ' ' C ' ' A' ' 26' ' ' GLY . . . -42.67 -80.45 0.04 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 97' ' ' ILE . 1.2 mm-40 -134.26 -170.89 2.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 110.289 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' GLU . 16.8 p90 -122.77 148.68 45.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 111.038 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.619 ' HB3' HG13 ' A' ' 97' ' ' ILE . . . -125.13 141.77 51.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.525 ' CH2' HD22 ' A' ' 75' ' ' LEU . 65.5 m95 -89.75 149.84 22.55 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 42' ' ' GLN . 20.3 m-85 -135.79 145.96 47.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.503 ' CE1' ' HB3' ' A' ' 41' ' ' TRP . 16.1 p90 -138.86 129.54 26.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 111.048 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 39' ' ' GLY . 2.1 tt0 -44.73 145.25 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.32 -130.02 2.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.08 -56.54 3.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.262 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -70.69 -59.28 2.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.409 ' O ' ' HA ' ' A' ' 35' ' ' GLU . . . -156.7 -93.24 0.1 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.011 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -121.25 149.08 43.41 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.503 ' HB3' ' CE1' ' A' ' 34' ' ' TYR . 7.4 m95 -120.5 144.7 47.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.58 ' HG3' ' CE1' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -98.56 120.29 38.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.452 ' OH ' ' NE2' ' A' ' 80' ' ' GLN . 93.2 m-85 -49.09 179.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.142 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 45' ' ' GLU . 27.1 t0 -83.68 -64.82 1.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 44' ' ' ASP . 3.4 tt0 163.54 -27.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -71.05 -43.79 67.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.472 HG22 HD11 ' A' ' 51' ' ' LEU . 2.3 m -70.19 -63.19 1.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.506 ' HA ' HD22 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -38.56 -44.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.049 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.59 -28.1 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.145 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 48' ' ' SER . 5.0 mm-40 -94.87 -36.75 11.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 48' ' ' SER . 3.8 mp -50.63 -44.22 57.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.57 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 1.3 tm-20 -76.57 -51.26 11.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -48.52 -44.4 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.468 ' CB ' ' HB ' ' A' ' 62' ' ' THR . . . -70.51 -61.83 1.62 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 55' ' ' PHE . 3.2 t80 -37.05 -35.95 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 t -88.66 -54.63 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -40.95 -46.86 2.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.76 -5.96 16.19 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.499 1.125 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 61' ' ' ASN . 17.7 mttt -54.02 -28.16 36.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 0.8 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER 66.45 -58.26 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 59' ' ' LYS . 1.1 m120 -102.31 113.41 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.468 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 9.1 t -108.08 123.97 49.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.416 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.68 124.18 33.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.788 ' HE1' ' HB2' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -120.65 143.96 48.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.552 HD13 HD22 ' A' ' 70' ' ' LEU . 2.5 tp -118.49 110.24 17.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.839 HD12 ' CD2' ' A' ' 71' ' ' TYR . 4.3 mt -94.65 -179.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.772 ' H ' HG22 ' A' ' 66' ' ' ILE . . . -41.33 92.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.357 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 66' ' ' ILE . . . 48.45 46.65 29.23 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.414 ' HB3' ' CE2' ' A' ' 71' ' ' TYR . 0.1 OUTLIER -145.28 114.65 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 0.723 . . . . 0.0 110.959 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.552 HD22 HD13 ' A' ' 65' ' ' LEU . 4.6 mm? -81.26 108.45 14.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.839 ' CD2' HD12 ' A' ' 66' ' ' ILE . 15.8 m-85 -119.5 151.87 37.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 63.8 t -136.19 116.36 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.788 ' HB2' ' HE1' ' A' ' 64' ' ' MET . . . -95.2 114.14 25.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.442 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 24.1 t0 -98.07 104.07 16.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.525 HD22 ' CH2' ' A' ' 32' ' ' TRP . 7.6 mt -74.47 -30.55 61.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.444 ' HG2' ' CG ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER -50.09 -44.77 52.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.427 ' O ' HG13 ' A' ' 79' ' ' VAL . 21.0 m-80 -101.35 -8.09 22.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.4 tpt 68.36 36.09 3.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.657 HG12 ' HG2' ' A' ' 91' ' ' LYS . 1.3 m -142.48 147.32 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.482 ' HG2' ' CG2' ' A' ' 92' ' ' ILE . 2.3 pt20 -114.73 133.52 55.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.442 ' CE2' ' HB2' ' A' ' 74' ' ' ASP . 4.5 p90 -130.6 156.32 45.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' HG3' ' CB ' ' A' ' 88' ' ' ARG . 39.6 mtt180 -73.02 135.46 44.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.452 ' CB ' ' HB3' ' A' ' 70' ' ' LEU . 1.5 ttt180 -55.59 -56.68 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -73.28 -47.15 45.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -93.52 60.25 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.341 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -41.61 -30.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.598 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.39 -57.02 20.14 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.439 ' CB ' ' HG3' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -60.85 117.74 5.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 0.786 . . . . 0.0 110.3 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.413 ' CB ' ' HB3' ' A' ' 81' ' ' TYR . 21.3 ptt180 -157.2 167.64 29.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.71 158.98 43.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.657 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.1 OUTLIER -83.12 135.13 34.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.504 HD11 HD23 ' A' ' 75' ' ' LEU . 23.1 pt -112.27 160.93 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -154.05 163.64 39.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -118.34 111.36 18.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -105.34 170.53 7.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 1.009 ' O ' HD13 ' A' ' 97' ' ' ILE . 17.5 mt -106.51 127.89 61.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 1.009 HD13 ' O ' ' A' ' 96' ' ' ILE . 1.9 mm -140.83 -164.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.797 ' H ' HG22 ' A' ' 97' ' ' ILE . 0.1 OUTLIER 67.47 119.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.772 ' C ' HD12 ' A' ' 99' ' ' ILE . 1.4 pp -90.13 158.19 44.4 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.463 ' HD3' ' CA ' ' A' ' 25' ' ' ARG . 18.3 Cg_endo -75.03 93.54 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.527 1.804 . . . . 0.0 110.991 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.16 -47.95 5.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -87.41 -54.37 4.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.346 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -37.37 -56.75 1.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 12.1 p -42.53 145.98 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 0.753 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.34 160.45 2.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.91 -157.65 11.43 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 139.2 24.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 47.8 t -108.93 135.73 49.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.1 t -107.65 144.17 35.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.983 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 179.972 . . . . . . . . 0 0 . 1 stop_ save_