data_1qxc_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 1qxc _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 ' 25' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.0 p 159.86 80.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.16 -26.17 14.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.39 -28.39 11.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.11 -36.27 7.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.91 108.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 0.802 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -66.15 -56.52 14.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.365 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -93.51 -137.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 112.26 61.74 0.45 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.2 p 159.97 80.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.545 0.791 . . . . 0.0 110.02 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.6 -26.06 13.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -28.73 11.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.54 -30.65 35.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.84 107.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.371 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -66.2 -54.08 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -93.27 -136.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 112.87 67.62 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.589 0.817 . . . . 0.0 109.344 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER 159.94 80.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.012 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.43 -26.33 13.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.38 -28.53 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.87 -37.35 6.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.04 108.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.337 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.406 HG22 ' CG1' ' A' ' 32' ' ' ILE . 1.8 mm -67.49 -60.58 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.406 ' CG1' HG22 ' A' ' 31' ' ' ILE . 2.1 mt -93.16 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 112.25 65.04 0.48 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER 159.94 80.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 0.793 . . . . 0.0 110.026 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.44 -26.19 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -28.45 12.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.91 -27.11 59.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.32 107.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mm -67.18 -25.16 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 2.1 mp -102.44 9.91 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 37.91 67.81 0.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.299 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 3.3 p 161.59 79.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 110.031 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.68 -26.53 13.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.369 1.043 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.48 -28.11 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.6 -24.5 67.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.33 107.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.352 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -54.92 -53.8 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -92.92 -137.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 112.62 66.14 0.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.92 80.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.7 -24.33 16.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.65 -27.47 13.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.94 -30.51 38.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 51.69 99.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.487 0.757 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.509 ' N ' ' CD1' ' A' ' 31' ' ' ILE . 1.2 mm -95.22 -38.15 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 1.5 mp -100.03 9.23 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 40.48 48.42 3.83 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.779 . . . . 0.0 109.37 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.9 p 159.91 80.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -99.94 -25.98 14.15 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.42 -28.62 11.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.96 -34.39 8.95 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.87 107.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 3.0 mm -75.53 77.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -92.06 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.69 63.1 0.59 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.4 p 159.96 80.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 0.794 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.32 -26.22 13.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.38 -28.56 11.75 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.55 -36.22 6.6 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.73 106.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.79 . . . . 0.0 109.282 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 3.1 mm -75.79 77.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -92.52 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.88 55.7 0.82 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 0.0 109.344 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.6 p 159.89 80.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -99.99 -26.07 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.31 -28.61 11.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.66 -33.98 8.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.92 107.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.501 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 3.2 mm -76.13 77.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -93.16 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.23 54.18 0.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.8 80.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 0.724 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.46 -24.6 16.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.235 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.47 -28.6 11.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.72 -31.62 17.78 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.9 109.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 0.739 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -46.89 -55.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -93.08 -137.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.43 61.78 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.74 80.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 110.08 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.36 -24.6 16.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.43 -28.65 11.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.217 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.68 -32.82 20.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.99 108.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -52.26 -52.94 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -93.19 -137.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.28 55.17 0.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.74 80.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.23 -24.75 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -103.42 -28.72 11.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.91 -34.6 6.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.44 109.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.733 . . . . 0.0 109.31 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -65.97 -53.99 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -93.19 -136.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.4 64.25 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.237 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.89 80.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 0.754 . . . . 0.0 110.062 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.28 -24.68 16.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.47 -28.58 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.36 -36.8 6.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.71 108.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -65.94 -59.28 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -92.87 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 112.62 62.2 0.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.87 80.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 0.742 . . . . 0.0 109.953 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.41 -24.61 16.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -28.38 11.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.29 -34.08 6.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.56 109.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.329 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.34 -60.84 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -92.81 -136.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.48 65.66 0.54 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.292 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.9 80.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.36 -24.56 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.46 -28.75 11.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.95 -34.04 13.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 110.949 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.75 110.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -66.57 -59.37 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -93.08 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.45 61.14 0.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.23 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.82 80.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.037 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.23 -24.69 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 -28.67 11.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.17 -32.93 7.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.31 108.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 0.736 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 mm -67.02 -58.36 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -93.41 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.59 58.06 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.3 p 159.92 80.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.17 -26.1 14.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.37 -28.74 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.11 -36.75 7.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.22 107.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 3.7 mm -78.05 77.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -94.06 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.01 64.54 0.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.342 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.0 p 159.98 80.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 0.793 . . . . 0.0 109.94 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.21 -26.21 14.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -28.69 11.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.25 -35.7 8.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.15 107.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 3.8 mm -78.15 77.33 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -93.41 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.48 59.19 0.49 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.546 0.792 . . . . 0.0 109.356 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.82 80.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 0.75 . . . . 0.0 110.031 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.39 -24.58 16.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.46 -28.6 11.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.49 -34.03 6.53 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.402 ' N ' ' HB3' ' A' ' 26' ' ' SER . . . 57.99 107.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mm -68.23 -59.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -93.15 -136.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 112.58 67.51 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.0 p 159.86 80.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.16 -26.17 14.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.39 -28.39 11.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.11 -36.27 7.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.91 108.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 0.802 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -66.15 -56.52 14.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.365 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -93.51 -137.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 112.26 61.74 0.45 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 54.91 88.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.2 p 159.97 80.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.545 0.791 . . . . 0.0 110.02 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.6 -26.06 13.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -28.73 11.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.54 -30.65 35.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.84 107.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.371 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -66.2 -54.08 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -93.27 -136.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 112.87 67.62 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tp 52.9 93.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 0.817 . . . . 0.0 109.344 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.608 1.193 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER 159.94 80.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.012 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.43 -26.33 13.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.38 -28.53 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.87 -37.35 6.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.04 108.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.337 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.406 HG22 ' CG1' ' A' ' 32' ' ' ILE . 1.8 mm -67.49 -60.58 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' CG1' HG22 ' A' ' 31' ' ' ILE . 2.1 mt -93.16 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 112.25 65.04 0.48 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 46.49 85.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER 159.94 80.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 0.793 . . . . 0.0 110.026 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.44 -26.19 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -28.45 12.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.91 -27.11 59.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.32 107.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mm -67.18 -25.16 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 2.1 mp -102.44 9.91 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 37.91 67.81 0.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mp 59.79 76.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.458 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 12.6 ptt? . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 3.3 p 161.59 79.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 110.031 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.68 -26.53 13.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.369 1.043 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.48 -28.11 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.6 -24.5 67.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.33 107.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.352 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -54.92 -53.8 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -92.92 -137.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 112.62 66.14 0.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 61.46 74.17 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.92 80.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.7 -24.33 16.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.65 -27.47 13.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.94 -30.51 38.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 51.69 99.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.487 0.757 . . . . 0.0 109.259 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.509 ' N ' ' CD1' ' A' ' 31' ' ' ILE . 1.2 mm -95.22 -38.15 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.547 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 1.5 mp -100.03 9.23 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 40.48 48.42 3.83 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 43.49 87.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.779 . . . . 0.0 109.37 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.419 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . 17.6 mmm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.9 p 159.91 80.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -99.94 -25.98 14.15 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.42 -28.62 11.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.96 -34.39 8.95 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.87 107.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 3.0 mm -75.53 77.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -92.06 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 106.69 63.1 0.59 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.86 77.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.7 mmt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 111.05 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.4 p 159.96 80.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 0.794 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.32 -26.22 13.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.38 -28.56 11.75 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.55 -36.22 6.6 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.73 106.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.79 . . . . 0.0 109.282 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 3.1 mm -75.79 77.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -92.52 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.88 55.7 0.82 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 52.95 88.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 0.0 109.344 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.6 p 159.89 80.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -99.99 -26.07 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.31 -28.61 11.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.66 -33.98 8.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.92 107.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.501 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 3.2 mm -76.13 77.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -93.16 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.23 54.18 0.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 41.75 83.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.2 ptt? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.8 80.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 0.724 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.46 -24.6 16.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.235 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.47 -28.6 11.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.72 -31.62 17.78 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.9 109.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 0.739 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -46.89 -55.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -93.08 -137.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.43 61.78 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 46.14 84.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ptt? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.74 80.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 110.08 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.36 -24.6 16.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.43 -28.65 11.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.217 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.68 -32.82 20.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.99 108.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -52.26 -52.94 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -93.19 -137.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 109.327 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.28 55.17 0.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.74 66.73 0.37 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.6 mtt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 110.995 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.74 80.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.23 -24.75 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -103.42 -28.72 11.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.91 -34.6 6.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.44 109.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.733 . . . . 0.0 109.31 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -65.97 -53.99 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -93.19 -136.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.4 64.25 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt 46.67 89.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.237 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ppp? . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.92 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.89 80.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 0.754 . . . . 0.0 110.062 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.28 -24.68 16.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.47 -28.58 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.36 -36.8 6.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.71 108.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -65.94 -59.28 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -92.87 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 112.62 62.2 0.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt 62.36 94.15 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.6 mtp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.87 80.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 0.742 . . . . 0.0 109.953 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.41 -24.61 16.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -28.38 11.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.29 -34.08 6.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.56 109.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.329 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -63.34 -60.84 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -92.81 -136.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.48 65.66 0.54 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt 58.06 65.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.4 mmt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.9 80.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.36 -24.56 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.46 -28.75 11.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.95 -34.04 13.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 110.949 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.75 110.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -66.57 -59.37 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -93.08 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.45 61.14 0.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.2 mt 54.38 81.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.23 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.82 80.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.037 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.23 -24.69 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 -28.67 11.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.17 -32.93 7.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.31 108.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 0.736 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 mm -67.02 -58.36 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -93.41 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.59 58.06 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.73 78.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.5 ptt? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.3 p 159.92 80.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.17 -26.1 14.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.37 -28.74 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.11 -36.75 7.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.22 107.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 3.7 mm -78.05 77.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -94.06 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.01 64.54 0.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.06 93.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.342 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.0 p 159.98 80.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 0.793 . . . . 0.0 109.94 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.21 -26.21 14.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -28.69 11.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.25 -35.7 8.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.15 107.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 3.8 mm -78.15 77.33 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -93.41 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.48 59.19 0.49 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 41.26 69.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 0.792 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.82 80.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 0.75 . . . . 0.0 110.031 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.39 -24.58 16.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.46 -28.6 11.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.49 -34.03 6.53 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.402 ' N ' ' HB3' ' A' ' 26' ' ' SER . . . 57.99 107.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mm -68.23 -59.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -93.15 -136.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 112.58 67.51 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 tp 63.27 80.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.6 mmm . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 111.066 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.0 p 159.86 80.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.16 -26.17 14.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.39 -28.39 11.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.11 -36.27 7.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.91 108.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 0.802 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -66.15 -56.52 14.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.365 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.3 mt -93.51 -137.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.26 61.74 0.45 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.2 p 159.97 80.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.545 0.791 . . . . 0.0 110.02 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.6 -26.06 13.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -28.73 11.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.54 -30.65 35.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.84 107.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.371 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -66.2 -54.08 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.489 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.2 mt -93.27 -136.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.87 67.62 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.589 0.817 . . . . 0.0 109.344 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER 159.94 80.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.012 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.43 -26.33 13.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.38 -28.53 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.87 -37.35 6.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.04 108.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.337 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.42 HG22 HG12 ' A' ' 32' ' ' ILE . 1.8 mm -67.49 -60.58 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.489 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -93.16 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.25 65.04 0.48 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER 159.94 80.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 0.793 . . . . 0.0 110.026 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.44 -26.19 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -28.45 12.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.91 -27.11 59.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.32 107.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mm -67.18 -25.16 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.813 ' N ' HD12 ' A' ' 32' ' ' ILE . 2.1 mp -102.44 9.91 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 37.91 67.81 0.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.299 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 3.3 p 161.59 79.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 110.031 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.68 -26.53 13.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.369 1.043 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.48 -28.11 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.6 -24.5 67.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.33 107.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.352 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.401 HG22 HG12 ' A' ' 32' ' ' ILE . 1.5 mm -54.92 -53.8 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.471 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.6 mt -92.92 -137.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.471 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.62 66.14 0.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.548 ' CB ' HD11 ' A' ' 31' ' ' ILE . 1.5 m 159.92 80.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.7 -24.33 16.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.65 -27.47 13.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.94 -30.51 38.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.679 ' C ' HD13 ' A' ' 31' ' ' ILE . . . 51.69 99.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.487 0.757 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.742 ' N ' HD13 ' A' ' 31' ' ' ILE . 1.2 mm -95.22 -38.15 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.706 ' N ' HD12 ' A' ' 32' ' ' ILE . 1.5 mp -100.03 9.23 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 40.48 48.42 3.83 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.779 . . . . 0.0 109.37 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.9 p 159.91 80.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -99.94 -25.98 14.15 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.42 -28.62 11.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.96 -34.39 8.95 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.87 107.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.745 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.0 mm -75.53 77.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.476 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.2 mt -92.06 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.476 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 106.69 63.1 0.59 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.4 p 159.96 80.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 0.794 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.32 -26.22 13.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.38 -28.56 11.75 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.55 -36.22 6.6 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.73 106.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.79 . . . . 0.0 109.282 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.741 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.1 mm -75.79 77.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.3 mt -92.52 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.478 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 102.88 55.7 0.82 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 0.0 109.344 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.6 p 159.89 80.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -99.99 -26.07 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.31 -28.61 11.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.66 -33.98 8.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.92 107.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.734 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.2 mm -76.13 77.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.472 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.3 mt -93.16 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.472 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 110.23 54.18 0.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.8 80.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 0.724 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.46 -24.6 16.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.235 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.47 -28.6 11.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.72 -31.62 17.78 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.9 109.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 0.739 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -46.89 -55.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.489 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -93.08 -137.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 108.43 61.78 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.74 80.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 110.08 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.36 -24.6 16.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.43 -28.65 11.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.217 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.68 -32.82 20.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.99 108.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -52.26 -52.94 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.49 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.0 mt -93.19 -137.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.49 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 100.28 55.17 0.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.74 80.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.23 -24.75 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -103.42 -28.72 11.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.91 -34.6 6.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.44 109.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.733 . . . . 0.0 109.31 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -65.97 -53.99 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.491 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.2 mt -93.19 -136.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.491 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 110.4 64.25 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.237 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.89 80.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 0.754 . . . . 0.0 110.062 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.28 -24.68 16.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.47 -28.58 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.36 -36.8 6.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.71 108.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -65.94 -59.28 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.2 mt -92.87 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.62 62.2 0.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.87 80.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 0.742 . . . . 0.0 109.953 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.41 -24.61 16.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -28.38 11.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.29 -34.08 6.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.56 109.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.329 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.461 HG22 HG12 ' A' ' 32' ' ' ILE . 1.6 mm -63.34 -60.84 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.9 mt -92.81 -136.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 110.48 65.66 0.54 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.292 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.9 80.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.36 -24.56 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.46 -28.75 11.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.95 -34.04 13.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 110.949 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.75 110.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.401 HG22 HG12 ' A' ' 32' ' ' ILE . 1.6 mm -66.57 -59.37 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -93.08 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.478 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 107.45 61.14 0.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.23 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.82 80.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.037 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.23 -24.69 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 -28.67 11.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.17 -32.93 7.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.31 108.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 0.736 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 mm -67.02 -58.36 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.3 mt -93.41 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 111.59 58.06 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.3 p 159.92 80.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.17 -26.1 14.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.37 -28.74 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.11 -36.75 7.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.22 107.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.741 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.7 mm -78.05 77.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.469 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -94.06 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.469 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 111.01 64.54 0.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.342 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.0 p 159.98 80.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 0.793 . . . . 0.0 109.94 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.21 -26.21 14.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -28.69 11.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.25 -35.7 8.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.15 107.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.729 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.8 mm -78.15 77.33 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.488 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -93.41 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.488 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 110.48 59.19 0.49 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.546 0.792 . . . . 0.0 109.356 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.82 80.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 0.75 . . . . 0.0 110.031 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.39 -24.58 16.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.46 -28.6 11.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.49 -34.03 6.53 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.402 ' N ' ' HB3' ' A' ' 26' ' ' SER . . . 57.99 107.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mm -68.23 -59.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.2 mt -93.15 -136.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.58 67.51 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.0 p 159.86 80.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.16 -26.17 14.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.39 -28.39 11.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.11 -36.27 7.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.91 108.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 0.802 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -66.15 -56.52 14.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.365 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.3 mt -93.51 -137.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.26 61.74 0.45 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 54.91 88.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.2 p 159.97 80.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.545 0.791 . . . . 0.0 110.02 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.6 -26.06 13.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -28.73 11.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.54 -30.65 35.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.84 107.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.371 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -66.2 -54.08 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.489 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.2 mt -93.27 -136.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.87 67.62 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tp 52.9 93.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 0.817 . . . . 0.0 109.344 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.608 1.193 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER 159.94 80.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.012 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.43 -26.33 13.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.38 -28.53 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.87 -37.35 6.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.04 108.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.337 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.42 HG22 HG12 ' A' ' 32' ' ' ILE . 1.8 mm -67.49 -60.58 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.489 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -93.16 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.25 65.04 0.48 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 46.49 85.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER 159.94 80.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 0.793 . . . . 0.0 110.026 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.44 -26.19 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -28.45 12.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.91 -27.11 59.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.32 107.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mm -67.18 -25.16 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.813 ' N ' HD12 ' A' ' 32' ' ' ILE . 2.1 mp -102.44 9.91 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 37.91 67.81 0.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mp 59.79 76.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.458 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 12.6 ptt? . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 3.3 p 161.59 79.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 110.031 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.68 -26.53 13.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.369 1.043 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.48 -28.11 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.6 -24.5 67.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.33 107.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.352 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.401 HG22 HG12 ' A' ' 32' ' ' ILE . 1.5 mm -54.92 -53.8 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.471 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.6 mt -92.92 -137.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.471 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.62 66.14 0.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 61.46 74.17 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.548 ' CB ' HD11 ' A' ' 31' ' ' ILE . 1.5 m 159.92 80.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.7 -24.33 16.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.65 -27.47 13.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.94 -30.51 38.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.679 ' C ' HD13 ' A' ' 31' ' ' ILE . . . 51.69 99.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.487 0.757 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.742 ' N ' HD13 ' A' ' 31' ' ' ILE . 1.2 mm -95.22 -38.15 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.706 ' N ' HD12 ' A' ' 32' ' ' ILE . 1.5 mp -100.03 9.23 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 40.48 48.42 3.83 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 43.49 87.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.779 . . . . 0.0 109.37 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.42 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . 17.6 mmm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.9 p 159.91 80.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -99.94 -25.98 14.15 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.42 -28.62 11.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.96 -34.39 8.95 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.87 107.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.745 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.0 mm -75.53 77.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.476 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.2 mt -92.06 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.476 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 106.69 63.1 0.59 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.86 77.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.7 mmt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 111.05 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.4 p 159.96 80.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 0.794 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.32 -26.22 13.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.38 -28.56 11.75 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.55 -36.22 6.6 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.73 106.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.79 . . . . 0.0 109.282 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.741 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.1 mm -75.79 77.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.3 mt -92.52 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.478 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 102.88 55.7 0.82 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 52.95 88.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 0.0 109.344 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.6 p 159.89 80.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -99.99 -26.07 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.31 -28.61 11.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.66 -33.98 8.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.92 107.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.734 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.2 mm -76.13 77.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.472 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.3 mt -93.16 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 110.23 54.18 0.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 41.75 83.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.2 ptt? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.8 80.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 0.724 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.46 -24.6 16.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.235 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.47 -28.6 11.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.72 -31.62 17.78 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.9 109.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 0.739 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -46.89 -55.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.489 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -93.08 -137.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 108.43 61.78 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 46.14 84.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ptt? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.74 80.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 110.08 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.36 -24.6 16.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.43 -28.65 11.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.217 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.68 -32.82 20.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.99 108.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -52.26 -52.94 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.49 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.0 mt -93.19 -137.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.49 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 100.28 55.17 0.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.74 66.73 0.37 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.6 mtt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 110.995 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.74 80.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.23 -24.75 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -103.42 -28.72 11.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.91 -34.6 6.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.44 109.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.733 . . . . 0.0 109.31 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -65.97 -53.99 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.491 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.2 mt -93.19 -136.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.491 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 110.4 64.25 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt 46.67 89.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.237 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ppp? . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.92 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.89 80.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 0.754 . . . . 0.0 110.062 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.28 -24.68 16.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.47 -28.58 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.36 -36.8 6.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.71 108.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -65.94 -59.28 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.2 mt -92.87 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.62 62.2 0.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt 62.36 94.15 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.6 mtp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.87 80.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 0.742 . . . . 0.0 109.953 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.41 -24.61 16.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -28.38 11.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.29 -34.08 6.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.56 109.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.329 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.461 HG22 HG12 ' A' ' 32' ' ' ILE . 1.6 mm -63.34 -60.84 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.9 mt -92.81 -136.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 110.48 65.66 0.54 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt 58.06 65.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.4 mmt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.9 80.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.36 -24.56 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.46 -28.75 11.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.95 -34.04 13.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 110.949 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.75 110.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.401 HG22 HG12 ' A' ' 32' ' ' ILE . 1.6 mm -66.57 -59.37 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -93.08 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.478 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 107.45 61.14 0.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.2 mt 54.38 81.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.23 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.82 80.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.037 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.23 -24.69 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 -28.67 11.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.17 -32.93 7.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.31 108.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 0.736 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 mm -67.02 -58.36 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.3 mt -93.41 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 111.59 58.06 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.73 78.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.5 ptt? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.3 p 159.92 80.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.17 -26.1 14.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.37 -28.74 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.11 -36.75 7.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.22 107.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.741 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.7 mm -78.05 77.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.469 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -94.06 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.469 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 111.01 64.54 0.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.06 93.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.342 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.0 p 159.98 80.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 0.793 . . . . 0.0 109.94 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.21 -26.21 14.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -28.69 11.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.25 -35.7 8.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.15 107.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.729 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.8 mm -78.15 77.33 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.488 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -93.41 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.488 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 110.48 59.19 0.49 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 41.26 69.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 0.792 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.82 80.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 0.75 . . . . 0.0 110.031 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.39 -24.58 16.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.46 -28.6 11.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.49 -34.03 6.53 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.402 ' N ' ' HB3' ' A' ' 26' ' ' SER . . . 57.99 107.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mm -68.23 -59.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.2 mt -93.15 -136.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.58 67.51 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 tp 63.27 80.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.6 mmm . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 111.066 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.0 p 159.86 80.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.16 -26.17 14.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.39 -28.39 11.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.11 -36.27 7.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.91 108.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 0.802 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -66.15 -56.52 14.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.365 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.3 mt -93.51 -137.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.26 61.74 0.45 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.2 p 159.97 80.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.545 0.791 . . . . 0.0 110.02 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.6 -26.06 13.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -28.73 11.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.54 -30.65 35.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.84 107.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.371 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -66.2 -54.08 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.489 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.2 mt -93.27 -136.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.87 67.62 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.589 0.817 . . . . 0.0 109.344 -179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER 159.94 80.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.012 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.43 -26.33 13.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.38 -28.53 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.87 -37.35 6.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.04 108.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.337 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.42 HG22 HG12 ' A' ' 32' ' ' ILE . 1.8 mm -67.49 -60.58 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.489 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -93.16 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.25 65.04 0.48 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER 159.94 80.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 0.793 . . . . 0.0 110.026 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.44 -26.19 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -28.45 12.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.91 -27.11 59.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.32 107.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mm -67.18 -25.16 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.813 ' N ' HD12 ' A' ' 32' ' ' ILE . 2.1 mp -102.44 9.91 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 37.91 67.81 0.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.299 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 3.3 p 161.59 79.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 110.031 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.68 -26.53 13.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.369 1.043 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.48 -28.11 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.6 -24.5 67.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.33 107.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.352 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.401 HG22 HG12 ' A' ' 32' ' ' ILE . 1.5 mm -54.92 -53.8 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.471 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.6 mt -92.92 -137.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.471 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.62 66.14 0.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.548 ' CB ' HD11 ' A' ' 31' ' ' ILE . 1.5 m 159.92 80.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.7 -24.33 16.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.65 -27.47 13.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.94 -30.51 38.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.679 ' C ' HD13 ' A' ' 31' ' ' ILE . . . 51.69 99.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.487 0.757 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.742 ' N ' HD13 ' A' ' 31' ' ' ILE . 1.2 mm -95.22 -38.15 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.706 ' N ' HD12 ' A' ' 32' ' ' ILE . 1.5 mp -100.03 9.23 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 40.48 48.42 3.83 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.779 . . . . 0.0 109.37 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.9 p 159.91 80.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -99.94 -25.98 14.15 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.42 -28.62 11.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.96 -34.39 8.95 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.87 107.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.745 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.0 mm -75.53 77.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.476 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.2 mt -92.06 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.476 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 106.69 63.1 0.59 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.4 p 159.96 80.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 0.794 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.32 -26.22 13.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.38 -28.56 11.75 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.55 -36.22 6.6 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.73 106.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.79 . . . . 0.0 109.282 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.741 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.1 mm -75.79 77.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.3 mt -92.52 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.478 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 102.88 55.7 0.82 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 0.0 109.344 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.6 p 159.89 80.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -99.99 -26.07 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.31 -28.61 11.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.66 -33.98 8.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.92 107.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.734 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.2 mm -76.13 77.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.472 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.3 mt -93.16 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.472 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 110.23 54.18 0.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.8 80.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 0.724 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.46 -24.6 16.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.235 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.47 -28.6 11.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.72 -31.62 17.78 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.9 109.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 0.739 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -46.89 -55.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.489 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -93.08 -137.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 108.43 61.78 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.74 80.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 110.08 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.36 -24.6 16.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.43 -28.65 11.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.217 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.68 -32.82 20.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.99 108.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -52.26 -52.94 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.49 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.0 mt -93.19 -137.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.49 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 100.28 55.17 0.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.545 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.74 80.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.23 -24.75 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -103.42 -28.72 11.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.91 -34.6 6.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.44 109.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.733 . . . . 0.0 109.31 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -65.97 -53.99 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.491 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.2 mt -93.19 -136.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.491 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 110.4 64.25 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.237 179.934 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.89 80.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 0.754 . . . . 0.0 110.062 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.28 -24.68 16.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.47 -28.58 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.36 -36.8 6.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.71 108.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -65.94 -59.28 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.2 mt -92.87 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.62 62.2 0.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.87 80.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 0.742 . . . . 0.0 109.953 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.41 -24.61 16.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -28.38 11.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.29 -34.08 6.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.56 109.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.329 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.461 HG22 HG12 ' A' ' 32' ' ' ILE . 1.6 mm -63.34 -60.84 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.9 mt -92.81 -136.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 110.48 65.66 0.54 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.292 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.9 80.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.36 -24.56 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.46 -28.75 11.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.95 -34.04 13.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 110.949 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.75 110.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.401 HG22 HG12 ' A' ' 32' ' ' ILE . 1.6 mm -66.57 -59.37 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -93.08 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.478 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 107.45 61.14 0.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.23 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.82 80.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.037 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.23 -24.69 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 -28.67 11.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.17 -32.93 7.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.31 108.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 0.736 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 mm -67.02 -58.36 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.3 mt -93.41 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 111.59 58.06 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 109.26 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.3 p 159.92 80.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.17 -26.1 14.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.37 -28.74 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.11 -36.75 7.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.22 107.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.741 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.7 mm -78.05 77.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.469 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -94.06 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.469 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 111.01 64.54 0.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.342 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.0 p 159.98 80.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 0.793 . . . . 0.0 109.94 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.21 -26.21 14.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -28.69 11.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.25 -35.7 8.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.15 107.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.729 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.8 mm -78.15 77.33 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.488 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -93.41 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.488 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 110.48 59.19 0.49 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.546 0.792 . . . . 0.0 109.356 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.82 80.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 0.75 . . . . 0.0 110.031 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.39 -24.58 16.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.46 -28.6 11.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.49 -34.03 6.53 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.402 ' N ' ' HB3' ' A' ' 26' ' ' SER . . . 57.99 107.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mm -68.23 -59.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.2 mt -93.15 -136.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.58 67.51 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 tp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.498 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.0 p 159.86 80.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 0.751 . . . . 0.0 109.988 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.16 -26.17 14.03 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.39 -28.39 11.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.11 -36.27 7.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.1 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.91 108.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 0.802 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -66.15 -56.52 14.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.365 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.3 mt -93.51 -137.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.275 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.26 61.74 0.45 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 54.91 88.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.2 p 159.97 80.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.545 0.791 . . . . 0.0 110.02 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.6 -26.06 13.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.24 -28.73 11.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.54 -30.65 35.81 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.453 1.096 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.84 107.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 0.782 . . . . 0.0 109.371 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.6 mm -66.2 -54.08 30.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.489 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.2 mt -93.27 -136.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.87 67.62 0.51 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.046 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tp 52.9 93.5 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.589 0.817 . . . . 0.0 109.344 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.608 1.193 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.494 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER 159.94 80.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 110.012 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.43 -26.33 13.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.38 -28.53 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.87 -37.35 6.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.04 108.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 0.737 . . . . 0.0 109.337 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.42 HG22 HG12 ' A' ' 32' ' ' ILE . 1.8 mm -67.49 -60.58 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.489 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -93.16 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.25 65.04 0.48 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 46.49 85.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER 159.94 80.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 0.793 . . . . 0.0 110.026 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.44 -26.19 13.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.252 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -28.45 12.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -77.91 -27.11 59.11 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.32 107.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 0.785 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mm -67.18 -25.16 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.813 ' N ' HD12 ' A' ' 32' ' ' ILE . 2.1 mp -102.44 9.91 8.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 37.91 67.81 0.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 mp 59.79 76.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 0.758 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.458 ' HB3' ' CG2' ' A' ' 32' ' ' ILE . 12.6 ptt? . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 3.3 p 161.59 79.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 0.785 . . . . 0.0 110.031 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.68 -26.53 13.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.369 1.043 . . . . 0.0 109.299 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.48 -28.11 12.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.6 -24.5 67.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.33 107.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.748 . . . . 0.0 109.352 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.401 HG22 HG12 ' A' ' 32' ' ' ILE . 1.5 mm -54.92 -53.8 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.471 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.6 mt -92.92 -137.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.471 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.62 66.14 0.49 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 61.46 74.17 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 0.771 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.548 ' CB ' HD11 ' A' ' 31' ' ' ILE . 1.5 m 159.92 80.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.02 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.7 -24.33 16.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.65 -27.47 13.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.94 -30.51 38.32 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.679 ' C ' HD13 ' A' ' 31' ' ' ILE . . . 51.69 99.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.487 0.757 . . . . 0.0 109.259 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.742 ' N ' HD13 ' A' ' 31' ' ' ILE . 1.2 mm -95.22 -38.15 8.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.706 ' N ' HD12 ' A' ' 32' ' ' ILE . 1.5 mp -100.03 9.23 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 40.48 48.42 3.83 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 43.49 87.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 0.779 . . . . 0.0 109.37 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.42 ' HB2' ' CG2' ' A' ' 32' ' ' ILE . 17.6 mmm . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 111.037 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.9 p 159.91 80.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -99.94 -25.98 14.15 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -103.42 -28.62 11.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.96 -34.39 8.95 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.046 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.87 107.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.745 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.0 mm -75.53 77.24 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.476 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.2 mt -92.06 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.375 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.476 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 106.69 63.1 0.59 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 59.86 77.46 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.7 mmt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.1 . . . . 0.0 111.05 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.481 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.4 p 159.96 80.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 0.794 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.32 -26.22 13.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.38 -28.56 11.75 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.55 -36.22 6.6 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.73 106.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.79 . . . . 0.0 109.282 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.741 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.1 mm -75.79 77.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.3 mt -92.52 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.478 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 102.88 55.7 0.82 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 52.95 88.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 0.77 . . . . 0.0 109.344 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.2 ptt? . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.6 p 159.89 80.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -99.99 -26.07 14.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.31 -28.61 11.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.66 -33.98 8.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 57.92 107.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.734 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.2 mm -76.13 77.34 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.472 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.3 mt -93.16 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.472 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 110.23 54.18 0.55 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 41.75 83.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.2 ptt? . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.489 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.8 80.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 0.724 . . . . 0.0 110.03 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.46 -24.6 16.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.235 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.47 -28.6 11.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.72 -31.62 17.78 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.9 109.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 0.739 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -46.89 -55.41 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.489 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -93.08 -137.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.489 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 108.43 61.78 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 46.14 84.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 0.0 109.248 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ptt? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.74 80.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 0.77 . . . . 0.0 110.08 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.36 -24.6 16.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.43 -28.65 11.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 109.217 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.68 -32.82 20.78 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.99 108.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.777 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -52.26 -52.94 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.49 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.0 mt -93.19 -137.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.49 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 100.28 55.17 0.98 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.74 66.73 0.37 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.522 0.778 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 11.6 mtt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 110.995 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.74 80.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.23 -24.75 16.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -103.42 -28.72 11.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.91 -34.6 6.44 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.44 109.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.733 . . . . 0.0 109.31 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -65.97 -53.99 31.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.491 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.2 mt -93.19 -136.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.419 1.075 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.491 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 110.4 64.25 0.52 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mt 46.67 89.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 0.748 . . . . 0.0 109.237 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ppp? . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 110.92 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.89 80.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.481 0.754 . . . . 0.0 110.062 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.28 -24.68 16.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.47 -28.58 11.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.36 -36.8 6.42 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.456 1.097 . . . . 0.0 111.028 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.71 108.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.5 mm -65.94 -59.28 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.2 mt -92.87 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.62 62.2 0.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.528 1.142 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 mt 62.36 94.15 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 0.74 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.6 mtp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.87 80.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 0.742 . . . . 0.0 109.953 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.41 -24.61 16.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -28.38 11.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.29 -34.08 6.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.56 109.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 0.762 . . . . 0.0 109.329 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.461 HG22 HG12 ' A' ' 32' ' ' ILE . 1.6 mm -63.34 -60.84 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 33' ' ' GLY . 1.9 mt -92.81 -136.92 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 110.48 65.66 0.54 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.47 1.106 . . . . 0.0 110.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.2 mt 58.06 65.93 1.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 0.744 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.4 mmt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.986 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.485 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.9 80.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.36 -24.56 16.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.46 -28.75 11.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -85.95 -34.04 13.93 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.554 1.159 . . . . 0.0 110.949 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.75 110.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.401 HG22 HG12 ' A' ' 32' ' ' ILE . 1.6 mm -66.57 -59.37 3.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.478 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -93.08 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.343 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.478 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 107.45 61.14 0.56 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.2 mt 54.38 81.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 0.0 109.23 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.82 80.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 110.037 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.23 -24.69 16.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 -28.67 11.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.17 -32.93 7.16 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.31 108.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 0.736 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 mm -67.02 -58.36 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.3 mt -93.41 -136.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.475 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 111.59 58.06 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.73 78.28 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 0.736 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.5 ptt? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 111.0 -179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.3 p 159.92 80.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 110.017 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -100.17 -26.1 14.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.37 -28.74 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -89.11 -36.75 7.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.22 107.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.323 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.741 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.7 mm -78.05 77.44 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.469 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -94.06 -137.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.469 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 111.01 64.54 0.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 58.06 93.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.342 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.478 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 2.0 p 159.98 80.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 0.793 . . . . 0.0 109.94 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -100.21 -26.21 14.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -28.69 11.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.25 -35.7 8.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.55 1.156 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 60.15 107.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.729 ' O ' HG22 ' A' ' 31' ' ' ILE . 3.8 mm -78.15 77.33 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.488 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.1 mt -93.41 -136.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.488 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 110.48 59.19 0.49 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 41.26 69.31 0.35 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 0.792 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 111.046 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.482 ' O ' ' CB ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 25' ' ' GLY . 1.5 m 159.82 80.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 0.75 . . . . 0.0 110.031 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -95.39 -24.58 16.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.46 -28.6 11.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.49 -34.03 6.53 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.402 ' N ' ' HB3' ' A' ' 26' ' ' SER . . . 57.99 107.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mm -68.23 -59.39 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 33' ' ' GLY . 2.2 mt -93.15 -136.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.487 ' H ' HG22 ' A' ' 32' ' ' ILE . . . 112.58 67.51 0.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 tp 63.27 80.49 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.6 mmm . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 111.066 179.989 . . . . . . . . 0 0 . 1 stop_ save_