data_2dx4_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 2dx4 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -99.75 69.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -86.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 107.993 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.57 ' CD1' ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 67.05 8.67 6.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . -39.22 106.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.589 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -152.8 -60.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.567 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -176.84 -100.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 8' ' ' ALA . 15.7 tppt? 33.67 52.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 72.28 58.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.54 44.66 6.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.559 ' CD1' ' CD1' ' A' ' 5' ' ' LEU . 12.6 t80 -55.63 -18.81 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.499 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -50.48 131.21 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.605 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 1.2 p -128.22 -154.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 23.4 m170 -164.15 56.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.601 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 27.7 m95 -72.95 -160.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.008 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.421 ' CB ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER 171.01 131.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 3' ' ' TYR . 5.6 t30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.455 ' N ' ' OD1' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -107.95 77.33 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.436 ' NE1' ' O ' ' A' ' 14' ' ' VAL . 1.4 t90 -41.04 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.701 ' CD1' ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER 61.59 10.92 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . -38.64 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.608 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -161.64 175.99 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.603 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.608 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -42.57 -92.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER 35.79 49.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 70.15 53.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.91 38.23 30.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.701 ' CD1' ' CD1' ' A' ' 5' ' ' LEU . 20.6 t80 -65.82 -10.36 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -40.48 100.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.628 ' C ' ' CD2' ' A' ' 15' ' ' HIS . 1.3 p -117.59 -168.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.628 ' CD2' ' C ' ' A' ' 14' ' ' VAL . 3.4 m-70 -161.82 58.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.643 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.544 ' CZ2' HG21 ' A' ' 14' ' ' VAL . 31.2 m95 -68.91 -159.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 108.024 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ALA . 21.8 p -148.9 139.15 22.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.266 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.574 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 2' ' ' ASN . 4.5 m-85 -156.75 24.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.563 ' CD1' ' HA ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -52.44 -63.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 107.969 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.577 HD22 ' CD1' ' A' ' 12' ' ' TYR . 1.0 OUTLIER 66.7 -94.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 5' ' ' LEU . . . 85.24 48.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.619 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -137.0 174.25 10.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.619 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -49.53 -96.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . 0.1 OUTLIER 42.44 48.83 4.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 67.45 46.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.68 29.96 64.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.577 ' CD1' HD22 ' A' ' 5' ' ' LEU . 10.7 t80 -52.35 -19.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.508 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -43.83 126.96 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.657 ' CG1' ' CD1' ' A' ' 16' ' ' TRP . 1.4 p -148.16 -161.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 4.0 m80 -155.46 56.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.657 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 32.1 m95 -77.93 -160.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.9 p -153.32 164.02 38.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.411 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 3' ' ' TYR . 4.8 t30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.461 ' N ' ' OD1' ' A' ' 2' ' ' ASN . 0.6 OUTLIER -129.13 75.82 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.41 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -41.87 -62.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.653 ' CD2' ' CD1' ' A' ' 12' ' ' TYR . 29.4 tp 64.19 -109.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 5' ' ' LEU . . . 83.58 91.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -155.36 -63.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.635 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.6 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -178.27 -99.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.481 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER 34.14 53.5 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 73.15 56.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.66 44.59 6.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.653 ' CD1' ' CD2' ' A' ' 5' ' ' LEU . 9.1 t80 -57.16 -18.81 17.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.5 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -49.16 125.15 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.614 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 1.2 p -132.08 -158.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 28.3 m170 -162.75 52.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.614 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.563 ' CD1' HG11 ' A' ' 14' ' ' VAL . 30.5 m95 -77.77 -159.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.003 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' ALA . 59.0 p -143.24 120.55 11.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -88.73 37.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.445 ' NE1' ' O ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -48.13 -78.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.592 ' CD1' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER 64.14 8.74 4.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . -39.28 106.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.602 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -155.86 -62.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.602 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -178.05 -105.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER 35.21 50.41 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 9' ' ' LYS . . . 83.27 56.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 42.15 46.33 5.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.58 ' CD2' HD11 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -71.92 56.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -123.78 100.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.606 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -102.1 -160.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 24.6 m170 -164.94 56.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.607 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.514 ' CE2' HG23 ' A' ' 14' ' ' VAL . 31.3 m95 -73.64 -160.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -143.34 98.78 3.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -86.75 49.77 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.404 ' O ' ' HB3' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -43.34 -58.76 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.033 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.576 ' CD1' ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 67.53 7.26 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.09 91.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.663 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -132.57 -70.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.663 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . 174.92 -111.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 0.9 OUTLIER 40.29 70.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.45 61.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 37.66 46.29 1.57 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.528 ' CG ' HD13 ' A' ' 5' ' ' LEU . 1.2 t80 -60.49 -12.47 9.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.458 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -51.17 130.31 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.703 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 20.0 m -120.41 -169.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -140.9 47.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.581 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.703 ' CZ2' ' CG1' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -67.51 -170.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.042 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 p -140.93 176.49 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.42 ' HB2' ' N ' ' A' ' 18' ' ' ALA . 6.3 t-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -97.09 49.87 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.58 ' CD1' ' HA ' ' A' ' 15' ' ' HIS . 2.1 t90 -44.3 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.706 ' CD1' ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 43.72 23.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.57 ' HB3' ' CD1' ' A' ' 4' ' ' TRP . . . -48.02 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.636 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -162.25 -179.25 6.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.636 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -40.1 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . 15.3 tptm 32.87 50.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 68.65 53.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 50.31 41.52 39.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.675 ' CD2' ' CD1' ' A' ' 5' ' ' LEU . 1.1 t80 -69.11 -8.67 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.449 HD11 ' CB ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -41.82 98.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.598 ' C ' ' CG ' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -125.87 -160.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.598 ' CG ' ' C ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -164.47 61.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.552 ' CZ2' HG21 ' A' ' 14' ' ' VAL . 25.8 m95 -74.34 -160.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 16' ' ' TRP . 10.9 p -158.1 176.35 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' N ' ' HB2' ' A' ' 2' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.546 ' HB2' ' CD1' ' A' ' 16' ' ' TRP . 11.8 m-85 -135.67 42.49 2.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.15 -80.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.7 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER 66.78 9.39 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.478 ' HA ' ' CB ' ' A' ' 13' ' ' ILE . . . -46.22 92.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.62 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -152.1 175.25 12.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.613 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.62 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -64.01 -163.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 86.3 85.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 43.12 45.38 4.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.23 38.75 57.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.7 ' CD2' ' CD1' ' A' ' 5' ' ' LEU . 5.3 t80 -48.38 -22.47 0.71 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 0.78 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.478 ' CB ' ' HA ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -51.13 141.41 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -120.99 -156.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 14' ' ' VAL . 7.9 m170 -173.45 53.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.635 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.569 ' CD1' HG11 ' A' ' 14' ' ' VAL . 46.5 m95 -60.17 -160.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.0 21.2 0.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.415 ' HB3' ' N ' ' A' ' 18' ' ' ALA . 6.1 p-10 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.55 56.85 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.416 ' NE1' ' HB3' ' A' ' 6' ' ' ALA . 3.7 t90 -42.95 -76.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.603 ' CD1' ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER 63.08 10.64 4.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . -37.97 104.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.583 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -153.83 -61.42 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.583 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -176.75 -85.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 39.77 46.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 9' ' ' LYS . . . 86.77 -46.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 170.3 36.43 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.568 1.168 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.565 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -61.43 -15.92 41.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.983 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.532 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -51.23 104.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.635 ' CG1' ' CD1' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -121.79 -159.86 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 27.6 m170 -161.02 58.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.635 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 27.3 m95 -78.76 -160.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' ALA . 12.2 p -154.17 97.36 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' N ' ' HB3' ' A' ' 2' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' A' ' 4' ' ' TRP . 4.6 m-85 -92.95 27.86 2.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.576 ' CH2' ' HB3' ' A' ' 15' ' ' HIS . 3.2 t-105 -40.77 -79.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.586 HD13 ' CD1' ' A' ' 12' ' ' TYR . 2.9 tm? 36.27 85.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' A' ' 13' ' ' ILE . . . -116.34 97.6 6.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.583 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -146.62 -58.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.61 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.583 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -177.54 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 8' ' ' ALA . 1.6 ttpt 28.48 53.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 9' ' ' LYS . . . 86.31 40.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 55.6 46.02 82.94 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.586 ' CD1' HD13 ' A' ' 5' ' ' LEU . 2.3 t80 -73.83 -5.51 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.562 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -40.45 110.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.606 ' C ' ' CG ' ' A' ' 15' ' ' HIS . 0.7 OUTLIER -145.28 -158.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.606 ' CG ' ' C ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -165.45 54.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.579 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.516 ' O ' ' CG2' ' A' ' 17' ' ' THR . 31.0 m95 -72.06 -161.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.516 ' CG2' ' O ' ' A' ' 16' ' ' TRP . 5.4 p -159.46 -178.04 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 3.2 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.477 ' CB ' ' O ' ' A' ' 1' ' ' ILE . 0.1 OUTLIER 80.0 66.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.403 ' CE2' ' HA ' ' A' ' 1' ' ' ILE . 45.6 m-85 -99.75 69.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -86.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 107.993 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.57 ' CD1' ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 67.05 8.67 6.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . -39.22 106.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.589 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -152.8 -60.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.567 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -176.84 -100.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.484 ' C ' ' O ' ' A' ' 8' ' ' ALA . 15.7 tppt? 33.67 52.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 72.28 58.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.54 44.66 6.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.559 ' CD1' ' CD1' ' A' ' 5' ' ' LEU . 12.6 t80 -55.63 -18.81 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.499 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -50.48 131.21 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.605 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 1.2 p -128.22 -154.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.605 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 23.4 m170 -164.15 56.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.601 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 27.7 m95 -72.95 -160.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.008 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.421 ' CB ' ' O ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER 171.01 131.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.593 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 17.1 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.467 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 5.6 t30 -75.92 133.79 40.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 1' ' ' ILE . 0.1 OUTLIER -107.95 77.33 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.436 ' NE1' ' O ' ' A' ' 14' ' ' VAL . 1.4 t90 -41.04 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.701 ' CD1' ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER 61.59 10.92 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . -38.64 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.608 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -161.64 175.99 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.603 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.608 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -42.57 -92.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER 35.79 49.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 70.15 53.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.91 38.23 30.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.701 ' CD1' ' CD1' ' A' ' 5' ' ' LEU . 20.6 t80 -65.82 -10.36 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -40.48 100.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.628 ' C ' ' CD2' ' A' ' 15' ' ' HIS . 1.3 p -117.59 -168.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.628 ' CD2' ' C ' ' A' ' 14' ' ' VAL . 3.4 m-70 -161.82 58.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.643 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.544 ' CZ2' HG21 ' A' ' 14' ' ' VAL . 31.2 m95 -68.91 -159.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 108.024 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ALA . 21.8 p -148.9 139.15 22.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.266 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.561 HG21 ' CE2' ' A' ' 3' ' ' TYR . 7.9 mm . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.574 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 165.83 141.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 2' ' ' ASN . 4.5 m-85 -156.75 24.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.563 ' CD1' ' HA ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -52.44 -63.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 107.969 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.577 HD22 ' CD1' ' A' ' 12' ' ' TYR . 1.0 OUTLIER 66.7 -94.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 5' ' ' LEU . . . 85.24 48.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.619 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -137.0 174.25 10.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.619 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -49.53 -96.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . 0.1 OUTLIER 42.44 48.83 4.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 67.45 46.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.68 29.96 64.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.577 ' CD1' HD22 ' A' ' 5' ' ' LEU . 10.7 t80 -52.35 -19.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.508 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -43.83 126.96 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.657 ' CG1' ' CD1' ' A' ' 16' ' ' TRP . 1.4 p -148.16 -161.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 4.0 m80 -155.46 56.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.657 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 32.1 m95 -77.93 -160.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.9 p -153.32 164.02 38.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.411 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.591 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 3.3 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.478 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 4.8 t30 -76.77 160.47 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 1' ' ' ILE . 0.6 OUTLIER -129.13 75.82 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.41 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -41.87 -62.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.653 ' CD2' ' CD1' ' A' ' 12' ' ' TYR . 29.4 tp 64.19 -109.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 5' ' ' LEU . . . 83.58 91.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -155.36 -63.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.635 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.6 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -178.27 -99.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.481 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER 34.14 53.5 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 73.15 56.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.66 44.59 6.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.653 ' CD1' ' CD2' ' A' ' 5' ' ' LEU . 9.1 t80 -57.16 -18.81 17.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.5 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -49.16 125.15 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.614 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 1.2 p -132.08 -158.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 28.3 m170 -162.75 52.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.614 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.563 ' CD1' HG11 ' A' ' 14' ' ' VAL . 30.5 m95 -77.77 -159.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.003 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' ALA . 59.0 p -143.24 120.55 11.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -111.73 73.78 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -88.73 37.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.445 ' NE1' ' O ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -48.13 -78.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.592 ' CD1' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER 64.14 8.74 4.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . -39.28 106.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.602 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -155.86 -62.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.602 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -178.05 -105.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER 35.21 50.41 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 9' ' ' LYS . . . 83.27 56.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 42.15 46.33 5.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.58 ' CD2' HD11 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -71.92 56.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -123.78 100.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.606 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -102.1 -160.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 24.6 m170 -164.94 56.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.607 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.514 ' CE2' HG23 ' A' ' 14' ' ' VAL . 31.3 m95 -73.64 -160.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -143.34 98.78 3.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.447 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 7.1 mm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 1' ' ' ILE . 0.6 OUTLIER 160.39 92.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -86.75 49.77 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.404 ' O ' ' HB3' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -43.34 -58.76 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.033 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.576 ' CD1' ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 67.53 7.26 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.09 91.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.663 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -132.57 -70.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.663 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . 174.92 -111.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 0.9 OUTLIER 40.29 70.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.45 61.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 37.66 46.29 1.57 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.528 ' CG ' HD13 ' A' ' 5' ' ' LEU . 1.2 t80 -60.49 -12.47 9.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.458 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -51.17 130.31 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.703 ' CG1' ' CZ2' ' A' ' 16' ' ' TRP . 20.0 m -120.41 -169.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -140.9 47.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.581 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.703 ' CZ2' ' CG1' ' A' ' 14' ' ' VAL . 0.9 OUTLIER -67.51 -170.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.042 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 p -140.93 176.49 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.7 ' N ' ' HH ' ' A' ' 3' ' ' TYR . 6.4 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.42 ' HB2' ' N ' ' A' ' 18' ' ' ALA . 6.3 t-20 -67.63 91.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.7 ' HH ' ' N ' ' A' ' 1' ' ' ILE . 25.3 m-85 -97.09 49.87 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.58 ' CD1' ' HA ' ' A' ' 15' ' ' HIS . 2.1 t90 -44.3 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.706 ' CD1' ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 43.72 23.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.57 ' HB3' ' CD1' ' A' ' 4' ' ' TRP . . . -48.02 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.636 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -162.25 -179.25 6.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.636 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -40.1 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . 15.3 tptm 32.87 50.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 68.65 53.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 50.31 41.52 39.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.675 ' CD2' ' CD1' ' A' ' 5' ' ' LEU . 1.1 t80 -69.11 -8.67 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.449 HD11 ' CB ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -41.82 98.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.598 ' C ' ' CG ' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -125.87 -160.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.598 ' CG ' ' C ' ' A' ' 14' ' ' VAL . 0.1 OUTLIER -164.47 61.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.552 ' CZ2' HG21 ' A' ' 14' ' ' VAL . 25.8 m95 -74.34 -160.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 16' ' ' TRP . 10.9 p -158.1 176.35 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' N ' ' HB2' ' A' ' 2' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.411 HG22 ' CE2' ' A' ' 3' ' ' TYR . 1.1 tt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -139.25 107.86 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.546 ' HB2' ' CD1' ' A' ' 16' ' ' TRP . 11.8 m-85 -135.67 42.49 2.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -45.15 -80.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.7 ' CD1' ' CD2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER 66.78 9.39 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.478 ' HA ' ' CB ' ' A' ' 13' ' ' ILE . . . -46.22 92.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.62 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -152.1 175.25 12.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.613 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.62 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -64.01 -163.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 86.3 85.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 43.12 45.38 4.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.23 38.75 57.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.7 ' CD2' ' CD1' ' A' ' 5' ' ' LEU . 5.3 t80 -48.38 -22.47 0.71 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 0.78 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.478 ' CB ' ' HA ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -51.13 141.41 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.569 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -120.99 -156.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 14' ' ' VAL . 7.9 m170 -173.45 53.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.635 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.569 ' CD1' HG11 ' A' ' 14' ' ' VAL . 46.5 m95 -60.17 -160.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.0 21.2 0.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 2' ' ' ASN . 34.1 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.449 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 6.1 p-10 -77.62 131.01 37.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.55 56.85 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.416 ' NE1' ' HB3' ' A' ' 6' ' ' ALA . 3.7 t90 -42.95 -76.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.603 ' CD1' ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER 63.08 10.64 4.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . -37.97 104.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.583 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -153.83 -61.42 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.583 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -176.75 -85.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.532 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 39.77 46.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 9' ' ' LYS . . . 86.77 -46.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 170.3 36.43 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.568 1.168 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.565 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -61.43 -15.92 41.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.983 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.532 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -51.23 104.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.635 ' CG1' ' CD1' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -121.79 -159.86 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.604 ' CD2' ' O ' ' A' ' 14' ' ' VAL . 27.6 m170 -161.02 58.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.635 ' CD1' ' CG1' ' A' ' 14' ' ' VAL . 27.3 m95 -78.76 -160.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' ALA . 12.2 p -154.17 97.36 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' N ' ' HB3' ' A' ' 2' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 3' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 61.3 68.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.508 ' CZ ' ' HA ' ' A' ' 1' ' ' ILE . 4.6 m-85 -92.95 27.86 2.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.576 ' CH2' ' HB3' ' A' ' 15' ' ' HIS . 3.2 t-105 -40.77 -79.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.586 HD13 ' CD1' ' A' ' 12' ' ' TYR . 2.9 tm? 36.27 85.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' A' ' 13' ' ' ILE . . . -116.34 97.6 6.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.583 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -146.62 -58.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.61 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.583 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -177.54 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.543 ' C ' ' O ' ' A' ' 8' ' ' ALA . 1.6 ttpt 28.48 53.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 9' ' ' LYS . . . 86.31 40.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 55.6 46.02 82.94 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.586 ' CD1' HD13 ' A' ' 5' ' ' LEU . 2.3 t80 -73.83 -5.51 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.562 ' CD1' ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -40.45 110.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.606 ' C ' ' CG ' ' A' ' 15' ' ' HIS . 0.7 OUTLIER -145.28 -158.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.606 ' CG ' ' C ' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -165.45 54.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.579 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.516 ' O ' ' CG2' ' A' ' 17' ' ' THR . 31.0 m95 -72.06 -161.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.516 ' CG2' ' O ' ' A' ' 16' ' ' TRP . 5.4 p -159.46 -178.04 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -99.75 69.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -86.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 107.993 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.066 HD12 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER 67.05 8.67 6.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . -39.22 106.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.589 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -152.8 -60.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.567 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -176.84 -100.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 15.7 tppt? 33.67 52.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 72.28 58.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.54 44.66 6.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 1.066 ' CD1' HD12 ' A' ' 5' ' ' LEU . 12.6 t80 -55.63 -18.81 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.776 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -50.48 131.21 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.979 HG11 ' CD1' ' A' ' 16' ' ' TRP . 1.2 p -128.22 -154.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.743 ' N ' HG13 ' A' ' 14' ' ' VAL . 34.5 m-70 -164.15 56.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.979 ' CD1' HG11 ' A' ' 14' ' ' VAL . 27.7 m95 -72.95 -160.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.008 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.546 HG22 ' C ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER 171.01 131.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 3' ' ' TYR . 5.6 t30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.455 ' N ' ' OD1' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -107.95 77.33 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.533 ' CD1' ' HB2' ' A' ' 6' ' ' ALA . 1.4 t90 -41.04 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.892 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 61.59 10.92 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.551 ' HB1' ' CD1' ' A' ' 13' ' ' ILE . . . -38.64 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.608 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -161.64 175.99 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.603 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.608 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -42.57 -92.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER 35.79 49.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 70.15 53.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.91 38.23 30.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.82 ' CD1' HD12 ' A' ' 5' ' ' LEU . 20.6 t80 -65.82 -10.36 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.551 ' CD1' ' HB1' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -40.48 100.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.892 HG21 ' CE2' ' A' ' 16' ' ' TRP . 1.3 p -117.59 -168.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.659 ' H ' HG22 ' A' ' 14' ' ' VAL . 2.4 m80 -161.82 58.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.643 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.892 ' CE2' HG21 ' A' ' 14' ' ' VAL . 31.2 m95 -68.91 -159.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 108.024 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ALA . 21.8 p -148.9 139.15 22.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.266 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.574 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 2' ' ' ASN . 4.5 m-85 -156.75 24.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -52.44 -63.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 107.969 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.951 HD22 ' CD1' ' A' ' 12' ' ' TYR . 1.0 OUTLIER 66.7 -94.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 5' ' ' LEU . . . 85.24 48.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.651 ' H ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -137.0 174.25 10.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.619 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -49.53 -96.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . 0.1 OUTLIER 42.44 48.83 4.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 67.45 46.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.68 29.96 64.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.951 ' CD1' HD22 ' A' ' 5' ' ' LEU . 10.7 t80 -52.35 -19.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.784 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -43.83 126.96 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.05 HG11 ' CD1' ' A' ' 16' ' ' TRP . 1.4 p -148.16 -161.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.675 ' H ' HG22 ' A' ' 14' ' ' VAL . 10.1 m-70 -155.46 56.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 1.05 ' CD1' HG11 ' A' ' 14' ' ' VAL . 32.1 m95 -77.93 -160.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 16' ' ' TRP . 11.9 p -153.32 164.02 38.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 3' ' ' TYR . 4.8 t30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.461 ' N ' ' OD1' ' A' ' 2' ' ' ASN . 0.6 OUTLIER -129.13 75.82 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.41 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -41.87 -62.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.876 HD23 ' CD1' ' A' ' 12' ' ' TYR . 29.4 tp 64.19 -109.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 5' ' ' LEU . . . 83.58 91.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -155.36 -63.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.635 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.6 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -178.27 -99.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER 34.14 53.5 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 73.15 56.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.66 44.59 6.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.876 ' CD1' HD23 ' A' ' 5' ' ' LEU . 9.1 t80 -57.16 -18.81 17.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.81 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -49.16 125.15 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.868 HG11 ' CD1' ' A' ' 16' ' ' TRP . 1.2 p -132.08 -158.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.685 ' N ' HG13 ' A' ' 14' ' ' VAL . 52.0 m-70 -162.75 52.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.614 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.868 ' CD1' HG11 ' A' ' 14' ' ' VAL . 30.5 m95 -77.77 -159.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.003 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' ALA . 59.0 p -143.24 120.55 11.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -88.73 37.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.445 ' NE1' ' O ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -48.13 -78.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.868 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER 64.14 8.74 4.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.535 ' CB ' HD13 ' A' ' 13' ' ' ILE . . . -39.28 106.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.602 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -155.86 -62.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.602 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -178.05 -105.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.68 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER 35.21 50.41 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 83.27 56.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 42.15 46.33 5.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.761 ' CG ' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -71.92 56.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.618 HD11 ' CE1' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -123.78 100.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.904 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -102.1 -160.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.731 ' N ' HG13 ' A' ' 14' ' ' VAL . 41.0 m-70 -164.94 56.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.607 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.904 ' CD1' HG11 ' A' ' 14' ' ' VAL . 31.3 m95 -73.64 -160.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -143.34 98.78 3.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -86.75 49.77 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.411 ' O ' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -43.34 -58.76 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.033 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.853 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 67.53 7.26 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.09 91.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.663 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -132.57 -70.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.663 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . 174.92 -111.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.9 OUTLIER 40.29 70.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.45 61.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 37.66 46.29 1.57 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.822 ' CG ' HD11 ' A' ' 5' ' ' LEU . 1.2 t80 -60.49 -12.47 9.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.734 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -51.17 130.31 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.763 HG11 ' CZ2' ' A' ' 16' ' ' TRP . 20.0 m -120.41 -169.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -140.9 47.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.581 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.763 ' CZ2' HG11 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -67.51 -170.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.042 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 p -140.93 176.49 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.42 ' HB2' ' N ' ' A' ' 18' ' ' ALA . 10.3 t30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -97.09 49.87 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.555 ' CD1' ' HA ' ' A' ' 15' ' ' HIS . 2.1 t90 -44.3 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.946 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 43.72 23.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.841 ' HB1' HD12 ' A' ' 13' ' ' ILE . . . -48.02 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.636 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -162.25 -179.25 6.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.636 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -40.1 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . 15.3 tptm 32.87 50.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 68.65 53.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 50.31 41.52 39.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.818 ' CE2' HD12 ' A' ' 5' ' ' LEU . 1.1 t80 -69.11 -8.67 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.841 HD12 ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -41.82 98.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.982 HG21 ' CZ2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -125.87 -160.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.734 ' N ' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -164.47 61.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.982 ' CZ2' HG21 ' A' ' 14' ' ' VAL . 25.8 m95 -74.34 -160.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 16' ' ' TRP . 10.9 p -158.1 176.35 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' N ' ' HB2' ' A' ' 2' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.546 ' HB2' ' CD1' ' A' ' 16' ' ' TRP . 11.8 m-85 -135.67 42.49 2.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.422 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -45.15 -80.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.102 HD11 ' CD2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER 66.78 9.39 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.501 ' HA ' ' CB ' ' A' ' 13' ' ' ILE . . . -46.22 92.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.62 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -152.1 175.25 12.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.613 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.62 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -64.01 -163.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 86.3 85.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 43.12 45.38 4.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.23 38.75 57.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 1.102 ' CD2' HD11 ' A' ' 5' ' ' LEU . 5.3 t80 -48.38 -22.47 0.71 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 0.78 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.501 ' CB ' ' HA ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -51.13 141.41 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.946 HG11 ' NE1' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -120.99 -156.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.762 ' N ' HG13 ' A' ' 14' ' ' VAL . 2.6 m-70 -173.45 53.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.635 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.946 ' NE1' HG11 ' A' ' 14' ' ' VAL . 46.5 m95 -60.17 -160.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.0 21.2 0.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.416 ' HB3' ' N ' ' A' ' 18' ' ' ALA . 6.1 p-10 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.55 56.85 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.734 ' CD1' ' HB2' ' A' ' 6' ' ' ALA . 3.7 t90 -42.95 -76.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.074 HD12 ' CD1' ' A' ' 12' ' ' TYR . 0.4 OUTLIER 63.08 10.64 4.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.734 ' HB2' ' CD1' ' A' ' 4' ' ' TRP . . . -37.97 104.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.583 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -153.83 -61.42 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.583 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -176.75 -85.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.718 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 39.77 46.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 86.77 -46.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 170.3 36.43 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.568 1.168 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 1.074 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -61.43 -15.92 41.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.983 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.796 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -51.23 104.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.042 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -121.79 -159.86 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.755 ' N ' HG13 ' A' ' 14' ' ' VAL . 46.3 m-70 -161.02 58.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 1.042 ' CD1' HG11 ' A' ' 14' ' ' VAL . 27.3 m95 -78.76 -160.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 16' ' ' TRP . 12.2 p -154.17 97.36 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' N ' ' HB3' ' A' ' 2' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.3 t30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' A' ' 4' ' ' TRP . 4.6 m-85 -92.95 27.86 2.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.704 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t-105 -40.77 -79.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.824 HD13 ' O ' ' A' ' 5' ' ' LEU . 2.9 tm? 36.27 85.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.58 ' HB3' ' HE1' ' A' ' 4' ' ' TRP . . . -116.34 97.6 6.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.583 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -146.62 -58.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.61 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 12' ' ' TYR . . . -177.54 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.6 ttpt 28.48 53.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 86.31 40.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 55.6 46.02 82.94 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.611 ' N ' ' O ' ' A' ' 8' ' ' ALA . 2.3 t80 -73.83 -5.51 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.827 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -40.45 110.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.889 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -145.28 -158.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.76 ' N ' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -165.45 54.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.579 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.889 ' CD1' HG11 ' A' ' 14' ' ' VAL . 31.0 m95 -72.06 -161.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 16' ' ' TRP . 5.4 p -159.46 -178.04 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 2' ' ' ASN . 3.2 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.513 ' N ' HG22 ' A' ' 1' ' ' ILE . 3.9 t-20 80.0 66.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -99.75 69.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -86.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 107.993 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.066 HD12 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER 67.05 8.67 6.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . -39.22 106.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.589 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -152.8 -60.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.567 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -176.84 -100.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 15.7 tppt? 33.67 52.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 72.28 58.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.54 44.66 6.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 1.066 ' CD1' HD12 ' A' ' 5' ' ' LEU . 12.6 t80 -55.63 -18.81 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.776 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -50.48 131.21 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.979 HG11 ' CD1' ' A' ' 16' ' ' TRP . 1.2 p -128.22 -154.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.743 ' N ' HG13 ' A' ' 14' ' ' VAL . 34.5 m-70 -164.15 56.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.979 ' CD1' HG11 ' A' ' 14' ' ' VAL . 27.7 m95 -72.95 -160.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.008 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.546 HG22 ' C ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER 171.01 131.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.593 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 17.1 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.489 ' N ' HG22 ' A' ' 1' ' ' ILE . 5.6 t30 -75.92 133.79 40.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 1' ' ' ILE . 0.1 OUTLIER -107.95 77.33 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' CD1' ' HB2' ' A' ' 6' ' ' ALA . 1.4 t90 -41.04 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.892 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 61.59 10.92 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.551 ' HB1' ' CD1' ' A' ' 13' ' ' ILE . . . -38.64 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.608 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -161.64 175.99 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.603 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.608 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -42.57 -92.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER 35.79 49.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 70.15 53.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.91 38.23 30.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.82 ' CD1' HD12 ' A' ' 5' ' ' LEU . 20.6 t80 -65.82 -10.36 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.551 ' CD1' ' HB1' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -40.48 100.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.892 HG21 ' CE2' ' A' ' 16' ' ' TRP . 1.3 p -117.59 -168.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.659 ' H ' HG22 ' A' ' 14' ' ' VAL . 2.4 m80 -161.82 58.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.643 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.892 ' CE2' HG21 ' A' ' 14' ' ' VAL . 31.2 m95 -68.91 -159.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 108.024 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ALA . 21.8 p -148.9 139.15 22.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.266 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.809 HG23 ' OH ' ' A' ' 3' ' ' TYR . 7.9 mm . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.574 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 165.83 141.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.809 ' OH ' HG23 ' A' ' 1' ' ' ILE . 4.5 m-85 -156.75 24.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -52.44 -63.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 107.969 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.951 HD22 ' CD1' ' A' ' 12' ' ' TYR . 1.0 OUTLIER 66.7 -94.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 5' ' ' LEU . . . 85.24 48.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.651 ' H ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -137.0 174.25 10.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.619 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -49.53 -96.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . 0.1 OUTLIER 42.44 48.83 4.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 67.45 46.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.68 29.96 64.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.951 ' CD1' HD22 ' A' ' 5' ' ' LEU . 10.7 t80 -52.35 -19.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.784 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -43.83 126.96 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.05 HG11 ' CD1' ' A' ' 16' ' ' TRP . 1.4 p -148.16 -161.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.675 ' H ' HG22 ' A' ' 14' ' ' VAL . 10.1 m-70 -155.46 56.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 1.05 ' CD1' HG11 ' A' ' 14' ' ' VAL . 32.1 m95 -77.93 -160.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 16' ' ' TRP . 11.9 p -153.32 164.02 38.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.591 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 3.3 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.478 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 4.8 t30 -76.77 160.47 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 1' ' ' ILE . 0.6 OUTLIER -129.13 75.82 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.41 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -41.87 -62.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.876 HD23 ' CD1' ' A' ' 12' ' ' TYR . 29.4 tp 64.19 -109.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 5' ' ' LEU . . . 83.58 91.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -155.36 -63.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.635 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.6 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -178.27 -99.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER 34.14 53.5 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 73.15 56.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.66 44.59 6.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.876 ' CD1' HD23 ' A' ' 5' ' ' LEU . 9.1 t80 -57.16 -18.81 17.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.81 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -49.16 125.15 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.868 HG11 ' CD1' ' A' ' 16' ' ' TRP . 1.2 p -132.08 -158.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.685 ' N ' HG13 ' A' ' 14' ' ' VAL . 52.0 m-70 -162.75 52.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.614 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.868 ' CD1' HG11 ' A' ' 14' ' ' VAL . 30.5 m95 -77.77 -159.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.003 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' ALA . 59.0 p -143.24 120.55 11.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.488 ' O ' HG22 ' A' ' 1' ' ' ILE . 3.2 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -111.73 73.78 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -88.73 37.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.445 ' NE1' ' O ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -48.13 -78.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.868 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER 64.14 8.74 4.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' CB ' HD13 ' A' ' 13' ' ' ILE . . . -39.28 106.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.602 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -155.86 -62.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.602 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -178.05 -105.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.68 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER 35.21 50.41 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 83.27 56.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 42.15 46.33 5.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.761 ' CG ' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -71.92 56.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.618 HD11 ' CE1' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -123.78 100.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.904 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -102.1 -160.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.731 ' N ' HG13 ' A' ' 14' ' ' VAL . 41.0 m-70 -164.94 56.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.607 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.904 ' CD1' HG11 ' A' ' 14' ' ' VAL . 31.3 m95 -73.64 -160.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -143.34 98.78 3.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.447 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 7.1 mm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 1' ' ' ILE . 1.2 m-80 160.39 92.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -86.75 49.77 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.411 ' O ' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -43.34 -58.76 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.033 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.853 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 67.53 7.26 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.09 91.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.663 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -132.57 -70.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.663 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . 174.92 -111.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.519 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 0.9 OUTLIER 40.29 70.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.45 61.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 37.66 46.29 1.57 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.822 ' CG ' HD11 ' A' ' 5' ' ' LEU . 1.2 t80 -60.49 -12.47 9.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.734 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -51.17 130.31 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.763 HG11 ' CZ2' ' A' ' 16' ' ' TRP . 20.0 m -120.41 -169.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -140.9 47.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.581 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.763 ' CZ2' HG11 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -67.51 -170.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.042 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 p -140.93 176.49 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.606 ' N ' ' CZ ' ' A' ' 3' ' ' TYR . 6.4 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.53 ' N ' HG22 ' A' ' 1' ' ' ILE . 10.3 t30 -67.63 91.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.606 ' CZ ' ' N ' ' A' ' 1' ' ' ILE . 25.3 m-85 -97.09 49.87 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.555 ' CD1' ' HA ' ' A' ' 15' ' ' HIS . 2.1 t90 -44.3 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.946 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 43.72 23.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.841 ' HB1' HD12 ' A' ' 13' ' ' ILE . . . -48.02 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.636 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -162.25 -179.25 6.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.636 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -40.1 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . 15.3 tptm 32.87 50.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 68.65 53.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 50.31 41.52 39.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.818 ' CE2' HD12 ' A' ' 5' ' ' LEU . 1.1 t80 -69.11 -8.67 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.841 HD12 ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -41.82 98.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.982 HG21 ' CZ2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -125.87 -160.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.734 ' N ' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -164.47 61.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.982 ' CZ2' HG21 ' A' ' 14' ' ' VAL . 25.8 m95 -74.34 -160.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 16' ' ' TRP . 10.9 p -158.1 176.35 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' N ' ' HB2' ' A' ' 2' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -139.25 107.86 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.546 ' HB2' ' CD1' ' A' ' 16' ' ' TRP . 11.8 m-85 -135.67 42.49 2.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.422 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -45.15 -80.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.102 HD11 ' CD2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER 66.78 9.39 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.501 ' HA ' ' CB ' ' A' ' 13' ' ' ILE . . . -46.22 92.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.62 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -152.1 175.25 12.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.613 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.62 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -64.01 -163.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 86.3 85.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 43.12 45.38 4.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.23 38.75 57.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 1.102 ' CD2' HD11 ' A' ' 5' ' ' LEU . 5.3 t80 -48.38 -22.47 0.71 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 0.78 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.501 ' CB ' ' HA ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -51.13 141.41 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.946 HG11 ' NE1' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -120.99 -156.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.762 ' N ' HG13 ' A' ' 14' ' ' VAL . 2.6 m-70 -173.45 53.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.635 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.946 ' NE1' HG11 ' A' ' 14' ' ' VAL . 46.5 m95 -60.17 -160.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.0 21.2 0.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 2' ' ' ASN . 34.1 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.457 ' N ' HG22 ' A' ' 1' ' ' ILE . 6.1 p-10 -77.62 131.01 37.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.55 56.85 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.734 ' CD1' ' HB2' ' A' ' 6' ' ' ALA . 3.7 t90 -42.95 -76.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.074 HD12 ' CD1' ' A' ' 12' ' ' TYR . 0.4 OUTLIER 63.08 10.64 4.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.734 ' HB2' ' CD1' ' A' ' 4' ' ' TRP . . . -37.97 104.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.583 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -153.83 -61.42 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.583 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -176.75 -85.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.718 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 39.77 46.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 86.77 -46.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 170.3 36.43 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.568 1.168 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 1.074 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -61.43 -15.92 41.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.983 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.796 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -51.23 104.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.042 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -121.79 -159.86 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.755 ' N ' HG13 ' A' ' 14' ' ' VAL . 46.3 m-70 -161.02 58.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 1.042 ' CD1' HG11 ' A' ' 14' ' ' VAL . 27.3 m95 -78.76 -160.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 16' ' ' TRP . 12.2 p -154.17 97.36 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' N ' ' HB3' ' A' ' 2' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.725 HG22 ' H ' ' A' ' 2' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.725 ' H ' HG22 ' A' ' 1' ' ' ILE . 20.3 t30 61.3 68.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 1' ' ' ILE . 4.6 m-85 -92.95 27.86 2.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.704 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t-105 -40.77 -79.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.824 HD13 ' O ' ' A' ' 5' ' ' LEU . 2.9 tm? 36.27 85.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.58 ' HB3' ' HE1' ' A' ' 4' ' ' TRP . . . -116.34 97.6 6.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.583 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -146.62 -58.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.61 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 12' ' ' TYR . . . -177.54 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.6 ttpt 28.48 53.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 86.31 40.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 55.6 46.02 82.94 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.611 ' N ' ' O ' ' A' ' 8' ' ' ALA . 2.3 t80 -73.83 -5.51 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.827 ' C ' HD13 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -40.45 110.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.889 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -145.28 -158.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.76 ' N ' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -165.45 54.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.579 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.889 ' CD1' HG11 ' A' ' 14' ' ' VAL . 31.0 m95 -72.06 -161.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 16' ' ' TRP . 5.4 p -159.46 -178.04 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -99.75 69.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -86.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 107.993 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.066 HD12 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER 67.05 8.67 6.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . -39.22 106.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.589 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -152.8 -60.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.567 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -176.84 -100.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 15.7 tppt? 33.67 52.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 72.28 58.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.54 44.66 6.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 1.066 ' CD1' HD12 ' A' ' 5' ' ' LEU . 12.6 t80 -55.63 -18.81 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.776 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -50.48 131.21 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.979 HG11 ' CD1' ' A' ' 16' ' ' TRP . 1.2 p -128.22 -154.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.743 ' N ' HG13 ' A' ' 14' ' ' VAL . 23.4 m170 -164.15 56.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.979 ' CD1' HG11 ' A' ' 14' ' ' VAL . 27.7 m95 -72.95 -160.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.008 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.546 HG22 ' C ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER 171.01 131.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 3' ' ' TYR . 5.6 t30 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.455 ' N ' ' OD1' ' A' ' 2' ' ' ASN . 0.1 OUTLIER -107.95 77.33 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.533 ' CD1' ' HB2' ' A' ' 6' ' ' ALA . 1.4 t90 -41.04 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.892 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 61.59 10.92 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.551 ' HB1' ' CD1' ' A' ' 13' ' ' ILE . . . -38.64 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.608 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -161.64 175.99 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.603 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.608 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -42.57 -92.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER 35.79 49.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 70.15 53.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.91 38.23 30.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.82 ' CD1' HD12 ' A' ' 5' ' ' LEU . 20.6 t80 -65.82 -10.36 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.551 ' CD1' ' HB1' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -40.48 100.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.892 HG21 ' CE2' ' A' ' 16' ' ' TRP . 1.3 p -117.59 -168.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.659 ' H ' HG22 ' A' ' 14' ' ' VAL . 3.4 m-70 -161.82 58.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.643 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.892 ' CE2' HG21 ' A' ' 14' ' ' VAL . 31.2 m95 -68.91 -159.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 108.024 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ALA . 21.8 p -148.9 139.15 22.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.266 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.574 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.574 ' CD1' ' O ' ' A' ' 2' ' ' ASN . 4.5 m-85 -156.75 24.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -52.44 -63.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 107.969 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.951 HD22 ' CD1' ' A' ' 12' ' ' TYR . 1.0 OUTLIER 66.7 -94.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 5' ' ' LEU . . . 85.24 48.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.651 ' H ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -137.0 174.25 10.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.619 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -49.53 -96.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . 0.1 OUTLIER 42.44 48.83 4.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 67.45 46.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.68 29.96 64.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.951 ' CD1' HD22 ' A' ' 5' ' ' LEU . 10.7 t80 -52.35 -19.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.784 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -43.83 126.96 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.05 HG11 ' CD1' ' A' ' 16' ' ' TRP . 1.4 p -148.16 -161.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.675 ' H ' HG22 ' A' ' 14' ' ' VAL . 4.0 m80 -155.46 56.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 1.05 ' CD1' HG11 ' A' ' 14' ' ' VAL . 32.1 m95 -77.93 -160.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 16' ' ' TRP . 11.9 p -153.32 164.02 38.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 3' ' ' TYR . 4.8 t30 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.461 ' N ' ' OD1' ' A' ' 2' ' ' ASN . 0.6 OUTLIER -129.13 75.82 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.41 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -41.87 -62.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.876 HD23 ' CD1' ' A' ' 12' ' ' TYR . 29.4 tp 64.19 -109.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 5' ' ' LEU . . . 83.58 91.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -155.36 -63.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.635 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.6 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -178.27 -99.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER 34.14 53.5 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 73.15 56.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.66 44.59 6.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.876 ' CD1' HD23 ' A' ' 5' ' ' LEU . 9.1 t80 -57.16 -18.81 17.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.81 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -49.16 125.15 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.868 HG11 ' CD1' ' A' ' 16' ' ' TRP . 1.2 p -132.08 -158.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.685 ' N ' HG13 ' A' ' 14' ' ' VAL . 28.3 m170 -162.75 52.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.614 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.868 ' CD1' HG11 ' A' ' 14' ' ' VAL . 30.5 m95 -77.77 -159.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.003 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' ALA . 59.0 p -143.24 120.55 11.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -88.73 37.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.445 ' NE1' ' O ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -48.13 -78.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.868 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER 64.14 8.74 4.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.535 ' CB ' HD13 ' A' ' 13' ' ' ILE . . . -39.28 106.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.602 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -155.86 -62.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.602 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -178.05 -105.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.68 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER 35.21 50.41 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 83.27 56.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 42.15 46.33 5.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.761 ' CG ' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -71.92 56.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.535 HD13 ' CB ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -123.78 100.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.904 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -102.1 -160.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.731 ' N ' HG13 ' A' ' 14' ' ' VAL . 24.6 m170 -164.94 56.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.607 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.904 ' CD1' HG11 ' A' ' 14' ' ' VAL . 31.3 m95 -73.64 -160.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -143.34 98.78 3.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -86.75 49.77 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.411 ' O ' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -43.34 -58.76 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.033 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.853 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 67.53 7.26 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.09 91.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.663 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -132.57 -70.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.663 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . 174.92 -111.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 0.9 OUTLIER 40.29 70.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.45 61.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 37.66 46.29 1.57 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.822 ' CG ' HD11 ' A' ' 5' ' ' LEU . 1.2 t80 -60.49 -12.47 9.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.734 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -51.17 130.31 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.763 HG11 ' CZ2' ' A' ' 16' ' ' TRP . 20.0 m -120.41 -169.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -140.9 47.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.581 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.763 ' CZ2' HG11 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -67.51 -170.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.042 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 p -140.93 176.49 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.42 ' HB2' ' N ' ' A' ' 18' ' ' ALA . 6.3 t-20 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -97.09 49.87 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.555 ' CD1' ' HA ' ' A' ' 15' ' ' HIS . 2.1 t90 -44.3 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.946 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 43.72 23.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.841 ' HB1' HD12 ' A' ' 13' ' ' ILE . . . -48.02 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.636 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -162.25 -179.25 6.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.636 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -40.1 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . 15.3 tptm 32.87 50.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 68.65 53.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 50.31 41.52 39.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.818 ' CE2' HD12 ' A' ' 5' ' ' LEU . 1.1 t80 -69.11 -8.67 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.841 HD12 ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -41.82 98.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.982 HG21 ' CZ2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -125.87 -160.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.734 ' N ' HG13 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -164.47 61.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.982 ' CZ2' HG21 ' A' ' 14' ' ' VAL . 25.8 m95 -74.34 -160.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 16' ' ' TRP . 10.9 p -158.1 176.35 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' N ' ' HB2' ' A' ' 2' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.546 ' HB2' ' CD1' ' A' ' 16' ' ' TRP . 11.8 m-85 -135.67 42.49 2.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.422 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -45.15 -80.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.102 HD11 ' CD2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER 66.78 9.39 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.501 ' HA ' ' CB ' ' A' ' 13' ' ' ILE . . . -46.22 92.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.62 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -152.1 175.25 12.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.613 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.62 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -64.01 -163.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 86.3 85.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 43.12 45.38 4.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.23 38.75 57.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 1.102 ' CD2' HD11 ' A' ' 5' ' ' LEU . 5.3 t80 -48.38 -22.47 0.71 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 0.78 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.501 ' CB ' ' HA ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -51.13 141.41 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.946 HG11 ' NE1' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -120.99 -156.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.762 ' N ' HG13 ' A' ' 14' ' ' VAL . 7.9 m170 -173.45 53.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.635 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.946 ' NE1' HG11 ' A' ' 14' ' ' VAL . 46.5 m95 -60.17 -160.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.0 21.2 0.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.416 ' HB3' ' N ' ' A' ' 18' ' ' ALA . 6.1 p-10 . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.55 56.85 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.734 ' CD1' ' HB2' ' A' ' 6' ' ' ALA . 3.7 t90 -42.95 -76.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.074 HD12 ' CD1' ' A' ' 12' ' ' TYR . 0.4 OUTLIER 63.08 10.64 4.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.734 ' HB2' ' CD1' ' A' ' 4' ' ' TRP . . . -37.97 104.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.583 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -153.83 -61.42 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.583 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -176.75 -85.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.718 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 39.77 46.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 86.77 -46.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 170.3 36.43 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.568 1.168 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 1.074 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -61.43 -15.92 41.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.983 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.796 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -51.23 104.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.042 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -121.79 -159.86 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.755 ' N ' HG13 ' A' ' 14' ' ' VAL . 27.6 m170 -161.02 58.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 1.042 ' CD1' HG11 ' A' ' 14' ' ' VAL . 27.3 m95 -78.76 -160.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 16' ' ' TRP . 12.2 p -154.17 97.36 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.416 ' N ' ' HB3' ' A' ' 2' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.412 ' O ' ' C ' ' A' ' 4' ' ' TRP . 4.6 m-85 -92.95 27.86 2.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.704 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t-105 -40.77 -79.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.824 HD13 ' O ' ' A' ' 5' ' ' LEU . 2.9 tm? 36.27 85.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.58 ' HB3' ' HE1' ' A' ' 4' ' ' TRP . . . -116.34 97.6 6.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.583 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -146.62 -58.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.61 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 12' ' ' TYR . . . -177.54 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.6 ttpt 28.48 53.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 86.31 40.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 55.6 46.02 82.94 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.611 ' N ' ' O ' ' A' ' 8' ' ' ALA . 2.3 t80 -73.83 -5.51 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.827 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -40.45 110.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.889 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -145.28 -158.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.76 ' N ' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -165.45 54.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.579 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.889 ' CD1' HG11 ' A' ' 14' ' ' VAL . 31.0 m95 -72.06 -161.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 16' ' ' TRP . 5.4 p -159.46 -178.04 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 2' ' ' ASN . 3.2 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.513 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER 80.0 66.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -99.75 69.92 1.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -86.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 107.993 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.066 HD12 ' CD1' ' A' ' 12' ' ' TYR . 0.3 OUTLIER 67.05 8.67 6.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 5' ' ' LEU . . . -39.22 106.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.589 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -152.8 -60.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.567 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.589 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -176.84 -100.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.506 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 15.7 tppt? 33.67 52.57 0.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 72.28 58.05 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.54 44.66 6.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 1.066 ' CD1' HD12 ' A' ' 5' ' ' LEU . 12.6 t80 -55.63 -18.81 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.776 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -50.48 131.21 10.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.979 HG11 ' CD1' ' A' ' 16' ' ' TRP . 1.2 p -128.22 -154.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.743 ' N ' HG13 ' A' ' 14' ' ' VAL . 23.4 m170 -164.15 56.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.576 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.979 ' CD1' HG11 ' A' ' 14' ' ' VAL . 27.7 m95 -72.95 -160.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 108.008 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.546 HG22 ' C ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER 171.01 131.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.593 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 17.1 mt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.489 ' N ' HG22 ' A' ' 1' ' ' ILE . 5.6 t30 -75.92 133.79 40.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 1' ' ' ILE . 0.1 OUTLIER -107.95 77.33 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.533 ' CD1' ' HB2' ' A' ' 6' ' ' ALA . 1.4 t90 -41.04 -77.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 107.996 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.892 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 61.59 10.92 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.551 ' HB1' ' CD1' ' A' ' 13' ' ' ILE . . . -38.64 98.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.608 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -161.64 175.99 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.603 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.608 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -42.57 -92.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER 35.79 49.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 70.15 53.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.91 38.23 30.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.82 ' CD1' HD12 ' A' ' 5' ' ' LEU . 20.6 t80 -65.82 -10.36 37.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.551 ' CD1' ' HB1' ' A' ' 6' ' ' ALA . 0.7 OUTLIER -40.48 100.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.892 HG21 ' CE2' ' A' ' 16' ' ' TRP . 1.3 p -117.59 -168.27 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.659 ' H ' HG22 ' A' ' 14' ' ' VAL . 3.4 m-70 -161.82 58.13 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.643 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.892 ' CE2' HG21 ' A' ' 14' ' ' VAL . 31.2 m95 -68.91 -159.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 108.024 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ALA . 21.8 p -148.9 139.15 22.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.147 . . . . 0.0 109.266 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.809 HG23 ' OH ' ' A' ' 3' ' ' TYR . 7.9 mm . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.574 ' O ' ' CD1' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 165.83 141.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.809 ' OH ' HG23 ' A' ' 1' ' ' ILE . 4.5 m-85 -156.75 24.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 111.042 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -52.44 -63.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 107.969 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.951 HD22 ' CD1' ' A' ' 12' ' ' TYR . 1.0 OUTLIER 66.7 -94.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 5' ' ' LEU . . . 85.24 48.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.651 ' H ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -137.0 174.25 10.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.623 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.619 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -49.53 -96.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . 0.1 OUTLIER 42.44 48.83 4.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 67.45 46.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.68 29.96 64.99 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.951 ' CD1' HD22 ' A' ' 5' ' ' LEU . 10.7 t80 -52.35 -19.03 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.784 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -43.83 126.96 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.05 HG11 ' CD1' ' A' ' 16' ' ' TRP . 1.4 p -148.16 -161.57 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.675 ' H ' HG22 ' A' ' 14' ' ' VAL . 4.0 m80 -155.46 56.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 1.05 ' CD1' HG11 ' A' ' 14' ' ' VAL . 32.1 m95 -77.93 -160.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.029 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 16' ' ' TRP . 11.9 p -153.32 164.02 38.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.411 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.591 ' O ' ' CE1' ' A' ' 3' ' ' TYR . 3.3 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.478 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 4.8 t30 -76.77 160.47 29.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 1' ' ' ILE . 0.6 OUTLIER -129.13 75.82 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.99 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.41 ' C ' ' O ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -41.87 -62.88 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.876 HD23 ' CD1' ' A' ' 12' ' ' TYR . 29.4 tp 64.19 -109.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 5' ' ' LEU . . . 83.58 91.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -155.36 -63.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.635 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.6 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -178.27 -99.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.524 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER 34.14 53.5 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.524 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 73.15 56.84 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 43.66 44.59 6.87 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.876 ' CD1' HD23 ' A' ' 5' ' ' LEU . 9.1 t80 -57.16 -18.81 17.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.81 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -49.16 125.15 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.868 HG11 ' CD1' ' A' ' 16' ' ' TRP . 1.2 p -132.08 -158.81 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.685 ' N ' HG13 ' A' ' 14' ' ' VAL . 28.3 m170 -162.75 52.75 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.614 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.868 ' CD1' HG11 ' A' ' 14' ' ' VAL . 30.5 m95 -77.77 -159.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 108.003 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 18' ' ' ALA . 59.0 p -143.24 120.55 11.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 17' ' ' THR . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.488 ' O ' HG22 ' A' ' 1' ' ' ILE . 3.2 mt . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -111.73 73.78 0.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.544 1.153 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -88.73 37.7 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.445 ' NE1' ' O ' ' A' ' 14' ' ' VAL . 0.4 OUTLIER -48.13 -78.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.868 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER 64.14 8.74 4.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' CB ' HD13 ' A' ' 13' ' ' ILE . . . -39.28 106.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.602 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -155.86 -62.01 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.618 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.602 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -178.05 -105.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.68 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.0 OUTLIER 35.21 50.41 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 83.27 56.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.268 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 42.15 46.33 5.26 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.145 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.761 ' CG ' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -71.92 56.65 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.535 HD13 ' CB ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -123.78 100.24 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.904 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -102.1 -160.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.731 ' N ' HG13 ' A' ' 14' ' ' VAL . 24.6 m170 -164.94 56.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.607 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.904 ' CD1' HG11 ' A' ' 14' ' ' VAL . 31.3 m95 -73.64 -160.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 107.978 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 p -143.34 98.78 3.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.262 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.447 ' O ' ' CB ' ' A' ' 2' ' ' ASN . 7.1 mm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.447 ' CB ' ' O ' ' A' ' 1' ' ' ILE . 0.6 OUTLIER 160.39 92.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -86.75 49.77 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.411 ' O ' HG22 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -43.34 -58.76 2.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.033 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.853 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 67.53 7.26 5.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.09 91.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.663 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -132.57 -70.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.593 179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.663 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . 174.92 -111.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.519 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 0.9 OUTLIER 40.29 70.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.45 61.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 37.66 46.29 1.57 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.491 1.119 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.822 ' CG ' HD11 ' A' ' 5' ' ' LEU . 1.2 t80 -60.49 -12.47 9.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 0.759 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.734 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -51.17 130.31 11.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.763 HG11 ' CZ2' ' A' ' 16' ' ' TRP . 20.0 m -120.41 -169.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -140.9 47.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 109.581 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.763 ' CZ2' HG11 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -67.51 -170.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 108.042 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 p -140.93 176.49 8.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.4 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.606 ' N ' ' CZ ' ' A' ' 3' ' ' TYR . 6.4 mt . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.53 ' N ' HG22 ' A' ' 1' ' ' ILE . 6.3 t-20 -67.63 91.26 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.606 ' CZ ' ' N ' ' A' ' 1' ' ' ILE . 25.3 m-85 -97.09 49.87 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.555 ' CD1' ' HA ' ' A' ' 15' ' ' HIS . 2.1 t90 -44.3 -80.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.946 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER 43.72 23.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.841 ' HB1' HD12 ' A' ' 13' ' ' ILE . . . -48.02 104.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.636 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -162.25 -179.25 6.89 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.636 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -40.1 -93.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.315 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.552 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . 15.3 tptm 32.87 50.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 68.65 53.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 50.31 41.52 39.98 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.137 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.818 ' CE2' HD12 ' A' ' 5' ' ' LEU . 1.1 t80 -69.11 -8.67 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.978 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.841 HD12 ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -41.82 98.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.982 HG21 ' CZ2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -125.87 -160.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.341 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.734 ' N ' HG13 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -164.47 61.6 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.623 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.982 ' CZ2' HG21 ' A' ' 14' ' ' VAL . 25.8 m95 -74.34 -160.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 16' ' ' TRP . 10.9 p -158.1 176.35 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' N ' ' HB2' ' A' ' 2' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.09 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.1 tt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -139.25 107.86 5.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.546 ' HB2' ' CD1' ' A' ' 16' ' ' TRP . 11.8 m-85 -135.67 42.49 2.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.422 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -45.15 -80.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.102 HD11 ' CD2' ' A' ' 12' ' ' TYR . 0.3 OUTLIER 66.78 9.39 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.501 ' HA ' ' CB ' ' A' ' 13' ' ' ILE . . . -46.22 92.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.62 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -152.1 175.25 12.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.613 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.62 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -64.01 -163.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER 86.3 85.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 43.12 45.38 4.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.23 38.75 57.26 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 1.102 ' CD2' HD11 ' A' ' 5' ' ' LEU . 5.3 t80 -48.38 -22.47 0.71 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.527 0.78 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.501 ' CB ' ' HA ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -51.13 141.41 4.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.946 HG11 ' NE1' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -120.99 -156.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.762 ' N ' HG13 ' A' ' 14' ' ' VAL . 7.9 m170 -173.45 53.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.635 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.946 ' NE1' HG11 ' A' ' 14' ' ' VAL . 46.5 m95 -60.17 -160.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.0 21.2 0.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.135 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 2' ' ' ASN . 34.1 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.457 ' N ' HG22 ' A' ' 1' ' ' ILE . 6.1 p-10 -77.62 131.01 37.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.55 56.85 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.734 ' CD1' ' HB2' ' A' ' 6' ' ' ALA . 3.7 t90 -42.95 -76.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.074 HD12 ' CD1' ' A' ' 12' ' ' TYR . 0.4 OUTLIER 63.08 10.64 4.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.734 ' HB2' ' CD1' ' A' ' 4' ' ' TRP . . . -37.97 104.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.583 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -153.83 -61.42 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.583 ' N ' ' CG ' ' A' ' 7' ' ' HIS . . . -176.75 -85.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.718 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.3 OUTLIER 39.77 46.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.718 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 86.77 -46.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.33 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 170.3 36.43 0.03 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.568 1.168 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 1.074 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -61.43 -15.92 41.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 110.983 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.796 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -51.23 104.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.042 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -121.79 -159.86 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.755 ' N ' HG13 ' A' ' 14' ' ' VAL . 27.6 m170 -161.02 58.04 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.568 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 1.042 ' CD1' HG11 ' A' ' 14' ' ' VAL . 27.3 m95 -78.76 -160.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 107.996 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 16' ' ' TRP . 12.2 p -154.17 97.36 2.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.42 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.416 ' N ' ' HB3' ' A' ' 2' ' ' ASN . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.725 HG22 ' H ' ' A' ' 2' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.725 ' H ' HG22 ' A' ' 1' ' ' ILE . 5.1 t-20 61.3 68.68 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 1' ' ' ILE . 4.6 m-85 -92.95 27.86 2.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.704 ' O ' HG12 ' A' ' 14' ' ' VAL . 3.2 t-105 -40.77 -79.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.005 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.824 HD13 ' O ' ' A' ' 5' ' ' LEU . 2.9 tm? 36.27 85.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.58 ' HB3' ' HE1' ' A' ' 4' ' ' TRP . . . -116.34 97.6 6.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.583 ' CG ' ' N ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -146.62 -58.71 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.576 1.172 . . . . 0.0 109.61 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.611 ' O ' ' N ' ' A' ' 12' ' ' TYR . . . -177.54 -86.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.716 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 1.6 ttpt 28.48 53.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.716 ' HB3' ' O ' ' A' ' 9' ' ' LYS . . . 86.31 40.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 8' ' ' ALA . . . 55.6 46.02 82.94 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.611 ' N ' ' O ' ' A' ' 8' ' ' ALA . 2.3 t80 -73.83 -5.51 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.827 HD13 ' C ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -40.45 110.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.889 HG11 ' CD1' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -145.28 -158.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.76 ' N ' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -165.45 54.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.579 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.889 ' CD1' HG11 ' A' ' 14' ' ' VAL . 31.0 m95 -72.06 -161.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 16' ' ' TRP . 5.4 p -159.46 -178.04 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.979 . . . . . . . . 0 0 . 1 stop_ save_