data_2mcv_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 2mcv _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 t80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.426 0.155 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -57.9 -54.38 47.54 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -68.9 -44.25 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 111.052 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.05 -43.45 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.113 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -65.05 -47.38 77.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.928 0.394 . . . . 0.0 110.778 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -66.42 -36.59 83.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.059 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.17 -33.92 52.5 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.37 -43.78 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t -60.22 -45.42 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.508 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -62.74 -47.15 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.436 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.52 -46.32 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.102 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' A' ' 17' ' ' HIS . . . -67.59 -35.33 86.12 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.53 -45.74 92.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.734 0.302 . . . . 0.0 110.519 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.1 m -67.16 -44.14 80.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.55 -45.15 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 62.0 m-70 -60.27 -41.26 92.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -63.23 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.343 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.98 -43.81 98.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.379 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -61.93 -44.5 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.522 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.529 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -58.06 -54.44 46.97 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.954 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -71.17 -43.08 68.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.902 0.382 . . . . 0.0 111.477 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.37 -43.58 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.105 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -66.42 -45.11 80.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.022 0.439 . . . . 0.0 110.928 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -65.7 -36.19 82.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.03 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.11 -33.58 51.62 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mm -63.12 -44.45 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.67 -46.17 96.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.402 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -66.73 -43.78 83.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 110.502 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.1 t -61.22 -45.2 99.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.192 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.69 -29.11 68.02 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -52.66 -43.11 65.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.643 0.258 . . . . 0.0 110.582 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -63.94 -43.89 94.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.025 0.44 . . . . 0.0 110.72 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.514 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.5 mp -64.35 -47.0 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -56.25 -47.09 79.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -63.46 -41.19 98.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.06 -43.97 97.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.571 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.32 -44.35 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.361 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.4 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.429 ' CZ ' ' CD1' ' A' ' 6' ' ' PHE . 79.7 t80 . . . . . 0 CA--C 1.527 0.066 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -55.66 -54.36 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.95 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -70.41 -45.05 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.04 0.448 . . . . 0.0 111.572 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.52 -43.65 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.205 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.429 ' CD1' ' CZ ' ' A' ' 2' ' ' PHE . 75.3 t80 -66.77 -45.12 79.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.005 0.431 . . . . 0.0 110.815 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -66.15 -37.51 85.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.108 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.68 -36.32 89.24 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.84 -44.64 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.024 0.44 . . . . 0.0 109.971 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.35 -45.44 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.864 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 14' ' ' LYS . 53.3 t-80 -64.15 -53.88 42.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.603 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -46.34 -31.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.187 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.53 ' O ' ' CD2' ' A' ' 17' ' ' HIS . . . -75.94 -34.14 48.54 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 11' ' ' HIS . 67.1 mmtt -61.26 -43.98 97.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.615 0.245 . . . . 0.0 110.526 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -70.27 -43.17 71.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.906 0.384 . . . . 0.0 110.721 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.38 -43.78 94.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.574 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 53.1 m-70 -63.23 -34.66 78.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.731 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -58.79 -45.13 90.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.362 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.6 -43.46 96.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.505 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.97 -44.75 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.639 -179.715 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 C--O 1.231 0.081 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -56.24 -52.59 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.877 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -71.66 -46.04 60.11 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.014 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.8 mm -64.89 -43.98 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.323 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -66.88 -46.33 75.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.272 0.558 . . . . 0.0 110.299 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -65.12 -38.93 92.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.555 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.7 -33.6 55.42 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.68 -44.66 99.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.92 -46.79 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.696 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -66.32 -44.76 82.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.366 . . . . 0.0 110.767 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 51.0 t -59.73 -45.95 94.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.007 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.38 -29.64 74.42 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -57.73 -43.39 85.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.481 -0.36 . . . . 0.0 110.905 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.0 p -66.56 -36.53 82.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.737 0.304 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm -63.3 -49.24 83.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.683 -0.407 . . . . 0.0 109.919 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.1 -46.83 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.631 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.75 -42.74 99.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.681 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.62 -44.45 96.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.555 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.88 -44.37 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.621 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.558 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 . . . . . 0 N--CA 1.461 0.118 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -57.34 -55.07 39.59 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.054 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -71.76 -43.81 65.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.4 . . . . 0.0 111.468 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.2 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.182 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -68.54 -43.08 77.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.018 0.437 . . . . 0.0 110.734 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -60.42 -39.71 88.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.835 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.58 -39.2 78.85 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.45 -52.31 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.092 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.7 p -62.92 -34.06 64.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.817 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -64.02 -49.99 70.24 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.5 t -45.62 -29.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.158 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.51 -34.47 57.1 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' HIS . 63.5 mttp -61.97 -44.39 96.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.803 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.9 p -68.98 -43.62 74.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.404 . . . . 0.0 110.793 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.08 -43.76 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.47 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.455 ' CE1' ' OG1' ' A' ' 21' ' ' THR . 66.4 t-80 -59.02 -34.32 71.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.68 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.2 tpt85 -55.73 -44.32 77.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.575 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.41 -42.38 98.65 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.09 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.249 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.455 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 2.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.486 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--O 1.233 0.223 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -70.77 -55.61 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.376 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -71.27 -51.75 22.73 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.414 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 9.1 tp -53.09 -38.51 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.413 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 89.2 t80 -68.29 -41.6 80.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.046 0.45 . . . . 0.0 111.201 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -62.6 -36.39 82.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.041 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.32 -34.44 41.1 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.488 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 2.0 mp -64.28 -42.56 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.37 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.21 -46.47 92.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.738 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -61.98 -47.66 83.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.513 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.3 t -60.71 -46.07 96.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.112 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' ND1' ' A' ' 17' ' ' HIS . . . -68.43 -32.84 75.95 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.23 -45.48 94.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.63 0.252 . . . . 0.0 110.573 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.2 p -70.74 -40.68 72.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.48 -44.45 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.424 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 13' ' ' GLY . 0.5 OUTLIER -62.21 -39.38 92.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -64.14 -42.04 96.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.32 -44.28 96.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.364 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.4 -45.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.71 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.525 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.969 0.414 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -54.12 -33.26 57.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.695 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -64.04 -43.5 95.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.227 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.98 -43.25 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.539 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -66.23 -42.39 88.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.483 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -61.67 -36.63 81.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.44 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.03 -33.69 57.53 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.66 -43.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.1 t -59.74 -43.92 92.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.171 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -65.08 -44.34 89.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.388 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.2 t -60.11 -45.49 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.056 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.98 -32.84 69.74 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -61.18 -45.52 94.26 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.346 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.2 m -67.41 -43.99 79.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.689 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.93 -44.0 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.317 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -58.09 -35.79 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.506 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -69.43 -39.36 77.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.496 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.48 -47.87 83.68 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.6 m -63.4 -38.84 83.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.999 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.511 -179.831 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.232 0.147 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.624 ' NE2' ' NH1' ' A' ' 7' ' ' ARG . 45.0 t-80 -56.15 -55.65 30.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.47 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -71.51 -44.11 65.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.823 0.344 . . . . 0.0 111.642 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.6 mm -63.8 -43.63 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.36 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -63.94 -48.24 77.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.965 0.412 . . . . 0.0 110.594 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.624 ' NH1' ' NE2' ' A' ' 3' ' ' HIS . 99.4 mtt180 -70.97 -34.4 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.387 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.77 -32.05 17.18 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.874 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 10' ' ' VAL . 18.3 tt -57.77 -42.25 81.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.057 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.453 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 80.9 t -61.83 -46.71 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.554 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -67.01 -43.58 82.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.005 0.431 . . . . 0.0 110.515 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.3 t -61.21 -46.38 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.295 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 17' ' ' HIS . . . -68.36 -30.03 73.29 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -60.29 -45.28 93.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.579 0.228 . . . . 0.0 111.144 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 88.2 m -65.01 -46.86 79.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.0 mm -64.35 -48.27 86.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.021 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 57.9 m170 -55.02 -41.33 71.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.553 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -69.79 -42.14 74.16 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.74 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.39 -48.93 73.57 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.786 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.25 -41.91 92.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.844 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.352 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 C--O 1.231 0.12 0 N-CA-C 111.467 0.173 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -57.71 -55.26 37.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -71.19 -42.76 68.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 0.0 111.259 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.2 -43.76 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.239 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -67.35 -46.32 73.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 110.711 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -65.46 -38.16 89.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.703 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.91 -33.23 35.67 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.35 -43.1 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.079 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.0 -44.54 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.439 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -65.72 -43.82 87.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.645 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.4 -47.13 93.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.058 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.53 -34.92 85.59 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.38 -46.1 91.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.671 0.272 . . . . 0.0 110.674 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.1 m -65.72 -43.48 88.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.775 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.4 mm -62.92 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.062 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -57.65 -44.3 85.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.495 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -64.59 -40.32 95.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.23 -43.43 98.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.21 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.6 t -63.31 -44.23 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.487 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.2 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.691 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 98.5 m-85 . . . . . 0 CA--C 1.527 0.063 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -56.97 -53.6 56.15 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.919 -0.713 . . . . 0.0 111.095 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -71.12 -45.66 63.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.967 0.413 . . . . 0.0 111.368 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.17 -43.66 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.577 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.407 ' CB ' ' O ' ' A' ' 2' ' ' PHE . 63.8 t80 -67.91 -45.52 74.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.092 0.472 . . . . 0.0 110.473 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.2 tpt85 -66.13 -38.41 88.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.753 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.47 -33.43 53.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.42 -43.44 98.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.007 0.432 . . . . 0.0 109.934 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.66 -45.98 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.133 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -64.65 -48.03 76.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.995 0.426 . . . . 0.0 110.41 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.9 t -45.55 -30.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.393 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.46 -37.57 69.44 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -63.12 -42.66 99.58 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 p -65.33 -48.99 71.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.3 mp -68.07 -46.53 81.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.94 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -57.25 -45.62 83.79 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.829 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -61.16 -43.5 98.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.413 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.4 tp -61.67 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.624 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -61.99 -44.6 99.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.075 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.7 m . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.148 179.606 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -48.1 -37.89 16.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.286 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -57.9 -54.38 47.54 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -68.9 -44.25 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 111.052 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.05 -43.45 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.113 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -65.05 -47.38 77.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.928 0.394 . . . . 0.0 110.778 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -66.42 -36.59 83.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.059 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.17 -33.92 52.5 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.37 -43.78 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t -60.22 -45.42 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.508 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -62.74 -47.15 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.436 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.4 t -60.52 -46.32 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.102 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' A' ' 17' ' ' HIS . . . -67.59 -35.33 86.12 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.53 -45.74 92.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.734 0.302 . . . . 0.0 110.519 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.1 m -67.16 -44.14 80.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.55 -45.15 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 62.0 m-70 -60.27 -41.26 92.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -63.23 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.343 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.98 -43.81 98.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.379 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.547 ' C ' ' H ' ' A' ' 22' ' ' GLY . 87.6 t -61.93 -44.5 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.522 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -67.75 10.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.529 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.547 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . 80.15 -0.02 84.84 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.028 0 O-C-N 122.509 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -49.83 -35.15 21.97 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -58.06 -54.44 46.97 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.954 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -71.17 -43.08 68.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.902 0.382 . . . . 0.0 111.477 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.37 -43.58 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.105 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -66.42 -45.11 80.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.022 0.439 . . . . 0.0 110.928 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -65.7 -36.19 82.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.03 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.11 -33.58 51.62 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mm -63.12 -44.45 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.67 -46.17 96.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.402 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -66.73 -43.78 83.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 110.502 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.1 t -61.22 -45.2 99.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.192 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.69 -29.11 68.02 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -52.66 -43.11 65.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.643 0.258 . . . . 0.0 110.582 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -63.94 -43.89 94.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.025 0.44 . . . . 0.0 110.72 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.514 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.5 mp -64.35 -47.0 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -56.25 -47.09 79.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -63.46 -41.19 98.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.06 -43.97 97.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.571 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 22' ' ' GLY . 76.6 t -62.32 -44.35 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.638 ' C ' ' HN2' ' A' ' 23' ' ' NH2 . 44.4 p -71.7 4.44 3.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . 53.49 0.02 0.05 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.638 ' HN2' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.034 0 O-C-N 122.517 -0.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.429 ' CZ ' ' CD1' ' A' ' 6' ' ' PHE . 79.7 t80 -49.61 -40.14 38.01 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -55.66 -54.36 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.95 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -70.41 -45.05 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.04 0.448 . . . . 0.0 111.572 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.52 -43.65 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.205 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.429 ' CD1' ' CZ ' ' A' ' 2' ' ' PHE . 75.3 t80 -66.77 -45.12 79.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.005 0.431 . . . . 0.0 110.815 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -66.15 -37.51 85.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.108 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.68 -36.32 89.24 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.84 -44.64 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.024 0.44 . . . . 0.0 109.971 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.35 -45.44 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.864 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 14' ' ' LYS . 53.3 t-80 -64.15 -53.88 42.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.603 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -46.34 -31.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.187 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.53 ' O ' ' CD2' ' A' ' 17' ' ' HIS . . . -75.94 -34.14 48.54 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 11' ' ' HIS . 67.1 mmtt -61.26 -43.98 97.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.615 0.245 . . . . 0.0 110.526 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -70.27 -43.17 71.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.906 0.384 . . . . 0.0 110.721 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.38 -43.78 94.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.574 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 53.1 m-70 -63.23 -34.66 78.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.731 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -58.79 -45.13 90.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.362 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.6 -43.46 96.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.505 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.97 -44.75 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.1 m -63.88 99.47 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.639 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.8 -0.03 0.04 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.057 0 O-C-N 122.448 -0.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -49.82 -34.21 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -56.24 -52.59 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.877 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -71.66 -46.04 60.11 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.014 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.8 mm -64.89 -43.98 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.323 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -66.88 -46.33 75.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.272 0.558 . . . . 0.0 110.299 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -65.12 -38.93 92.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.555 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.7 -33.6 55.42 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.68 -44.66 99.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.92 -46.79 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.696 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -66.32 -44.76 82.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.366 . . . . 0.0 110.767 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 51.0 t -59.73 -45.95 94.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.007 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.38 -29.64 74.42 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -57.73 -43.39 85.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.481 -0.36 . . . . 0.0 110.905 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.0 p -66.56 -36.53 82.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.737 0.304 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm -63.3 -49.24 83.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.683 -0.407 . . . . 0.0 109.919 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.1 -46.83 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.631 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.75 -42.74 99.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.681 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.62 -44.45 96.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.555 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.88 -44.37 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.621 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 p -68.58 94.6 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.558 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.52 -0.06 0.03 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.039 0 O-C-N 122.564 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -50.71 -35.18 29.97 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -57.34 -55.07 39.59 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.054 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -71.76 -43.81 65.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.4 . . . . 0.0 111.468 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.2 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.182 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -68.54 -43.08 77.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.018 0.437 . . . . 0.0 110.734 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -60.42 -39.71 88.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.835 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.58 -39.2 78.85 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.45 -52.31 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.092 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.7 p -62.92 -34.06 64.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.817 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -64.02 -49.99 70.24 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.5 t -45.62 -29.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.158 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.51 -34.47 57.1 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' HIS . 63.5 mttp -61.97 -44.39 96.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.803 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.9 p -68.98 -43.62 74.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.404 . . . . 0.0 110.793 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.08 -43.76 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.47 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.455 ' CE1' ' OG1' ' A' ' 21' ' ' THR . 66.4 t-80 -59.02 -34.32 71.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.68 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.2 tpt85 -55.73 -44.32 77.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.575 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.41 -42.38 98.65 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.09 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.249 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.455 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 2.2 m -71.67 1.66 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.486 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.59 0.02 10.98 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.011 0 O-C-N 122.5 -0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -47.5 -34.14 7.13 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -70.77 -55.61 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.376 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -71.27 -51.75 22.73 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.414 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 9.1 tp -53.09 -38.51 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.413 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 89.2 t80 -68.29 -41.6 80.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.046 0.45 . . . . 0.0 111.201 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -62.6 -36.39 82.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.041 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.32 -34.44 41.1 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.488 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 2.0 mp -64.28 -42.56 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.37 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.21 -46.47 92.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.738 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -61.98 -47.66 83.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.513 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.3 t -60.71 -46.07 96.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.112 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' ND1' ' A' ' 17' ' ' HIS . . . -68.43 -32.84 75.95 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.23 -45.48 94.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.63 0.252 . . . . 0.0 110.573 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.2 p -70.74 -40.68 72.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.48 -44.45 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.424 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 13' ' ' GLY . 0.5 OUTLIER -62.21 -39.38 92.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -64.14 -42.04 96.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.32 -44.28 96.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.364 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.4 -45.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.71 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.41 ' C ' ' HN2' ' A' ' 23' ' ' NH2 . 21.9 p -66.32 97.06 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.525 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.64 -0.04 6.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.41 ' HN2' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.037 0 O-C-N 122.501 -0.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.7 t80 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -71.81 -55.26 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.424 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -54.12 -33.26 57.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.695 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -64.04 -43.5 95.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.227 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.98 -43.25 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.539 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -66.23 -42.39 88.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.483 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -61.67 -36.63 81.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.44 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.03 -33.69 57.53 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.66 -43.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.1 t -59.74 -43.92 92.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.171 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -65.08 -44.34 89.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.388 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 65.2 t -60.11 -45.49 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.056 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.98 -32.84 69.74 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -61.18 -45.52 94.26 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.346 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.2 m -67.41 -43.99 79.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.689 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.93 -44.0 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.317 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -58.09 -35.79 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.506 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -69.43 -39.36 77.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.496 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.48 -47.87 83.68 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.487 ' C ' ' H ' ' A' ' 22' ' ' GLY . 17.6 m -63.4 -38.84 83.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.999 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p -71.51 10.75 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.511 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . 72.52 0.04 45.16 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.057 0 O-C-N 122.529 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -50.01 -41.55 47.48 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.624 ' NE2' ' NH1' ' A' ' 7' ' ' ARG . 45.0 t-80 -56.15 -55.65 30.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.47 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -71.51 -44.11 65.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.823 0.344 . . . . 0.0 111.642 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.6 mm -63.8 -43.63 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.36 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -63.94 -48.24 77.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.965 0.412 . . . . 0.0 110.594 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.624 ' NH1' ' NE2' ' A' ' 3' ' ' HIS . 99.4 mtt180 -70.97 -34.4 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.387 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -49.77 -32.05 17.18 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.874 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 10' ' ' VAL . 18.3 tt -57.77 -42.25 81.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.057 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.453 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 80.9 t -61.83 -46.71 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.554 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -67.01 -43.58 82.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.005 0.431 . . . . 0.0 110.515 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 64.3 t -61.21 -46.38 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.295 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 17' ' ' HIS . . . -68.36 -30.03 73.29 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -60.29 -45.28 93.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.579 0.228 . . . . 0.0 111.144 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 88.2 m -65.01 -46.86 79.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.0 mm -64.35 -48.27 86.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.021 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 57.9 m170 -55.02 -41.33 71.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.553 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -69.79 -42.14 74.16 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.74 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.39 -48.93 73.57 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.786 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.6 p -65.25 -41.91 92.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.844 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.741 ' C ' ' HN2' ' A' ' 23' ' ' NH2 . 10.3 p -61.91 101.13 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.352 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.83 -0.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . 0.741 ' HN2' ' C ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.04 0 O-C-N 122.472 -0.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -47.76 -38.71 16.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.467 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -57.71 -55.26 37.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -71.19 -42.76 68.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 0.0 111.259 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.2 -43.76 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.239 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -67.35 -46.32 73.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 110.711 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -65.46 -38.16 89.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.703 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.91 -33.23 35.67 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.35 -43.1 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.079 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.0 -44.54 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.439 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -65.72 -43.82 87.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.645 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.4 -47.13 93.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.058 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.53 -34.92 85.59 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.38 -46.1 91.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.671 0.272 . . . . 0.0 110.674 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.1 m -65.72 -43.48 88.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.775 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.4 mm -62.92 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.062 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -57.65 -44.3 85.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.495 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -64.59 -40.32 95.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.23 -43.43 98.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.21 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.463 ' C ' ' H ' ' A' ' 22' ' ' GLY . 81.6 t -63.31 -44.23 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.487 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.2 p -71.1 7.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.691 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . 76.95 -0.06 67.71 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.042 0 O-C-N 122.572 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 98.5 m-85 -53.24 -34.8 58.64 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -56.97 -53.6 56.15 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.919 -0.713 . . . . 0.0 111.095 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -71.12 -45.66 63.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.967 0.413 . . . . 0.0 111.368 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.17 -43.66 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.577 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' CB ' ' O ' ' A' ' 2' ' ' PHE . 63.8 t80 -67.91 -45.52 74.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.092 0.472 . . . . 0.0 110.473 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.2 tpt85 -66.13 -38.41 88.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.753 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.47 -33.43 53.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.42 -43.44 98.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.007 0.432 . . . . 0.0 109.934 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.66 -45.98 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.133 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -64.65 -48.03 76.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.995 0.426 . . . . 0.0 110.41 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.9 t -45.55 -30.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.393 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.46 -37.57 69.44 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -63.12 -42.66 99.58 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 p -65.33 -48.99 71.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.3 mp -68.07 -46.53 81.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.94 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -57.25 -45.62 83.79 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.829 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -61.16 -43.5 98.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.413 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.4 tp -61.67 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.624 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' A' ' 22' ' ' GLY . 72.8 t -61.99 -44.6 99.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.075 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.7 m -71.27 2.32 4.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.148 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.402 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . -70.72 -0.04 30.46 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.026 0 O-C-N 122.519 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 t80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.426 0.155 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -57.9 -54.38 47.54 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -68.9 -44.25 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 111.052 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.05 -43.45 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.113 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -65.05 -47.38 77.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.928 0.394 . . . . 0.0 110.778 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -66.42 -36.59 83.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.059 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.41 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -54.17 -33.92 52.5 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.37 -43.78 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t -60.22 -45.42 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.508 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -62.74 -47.15 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.436 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 8' ' ' GLY . 78.4 t -60.52 -46.32 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.102 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.59 -35.33 86.12 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.53 -45.74 92.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.734 0.302 . . . . 0.0 110.519 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.1 m -67.16 -44.14 80.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.55 -45.15 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -60.27 -41.26 92.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -63.23 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.343 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.98 -43.81 98.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.379 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -61.93 -44.5 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.522 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.529 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -58.06 -54.44 46.97 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.954 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -71.17 -43.08 68.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.902 0.382 . . . . 0.0 111.477 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.37 -43.58 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.105 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -66.42 -45.11 80.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.022 0.439 . . . . 0.0 110.928 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -65.7 -36.19 82.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.03 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -54.11 -33.58 51.62 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mm -63.12 -44.45 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.67 -46.17 96.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.402 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -66.73 -43.78 83.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 110.502 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 8' ' ' GLY . 50.1 t -61.22 -45.2 99.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.192 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.69 -29.11 68.02 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -52.66 -43.11 65.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.643 0.258 . . . . 0.0 110.582 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -63.94 -43.89 94.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.025 0.44 . . . . 0.0 110.72 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.571 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.5 mp -64.35 -47.0 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -56.25 -47.09 79.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -63.46 -41.19 98.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.06 -43.97 97.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.571 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 16' ' ' ILE . 76.6 t -62.32 -44.35 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.4 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.429 ' CZ ' ' CD1' ' A' ' 6' ' ' PHE . 79.7 t80 . . . . . 0 CA--C 1.527 0.066 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -55.66 -54.36 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.95 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -70.41 -45.05 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.04 0.448 . . . . 0.0 111.572 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.52 -43.65 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.205 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.429 ' CD1' ' CZ ' ' A' ' 2' ' ' PHE . 75.3 t80 -66.77 -45.12 79.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.005 0.431 . . . . 0.0 110.815 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -66.15 -37.51 85.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.108 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.68 -36.32 89.24 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.84 -44.64 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.024 0.44 . . . . 0.0 109.971 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.35 -45.44 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.864 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -64.15 -53.88 42.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.603 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -46.34 -31.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.187 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.94 -34.14 48.54 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -61.26 -43.98 97.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.615 0.245 . . . . 0.0 110.526 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -70.27 -43.17 71.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.906 0.384 . . . . 0.0 110.721 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.38 -43.78 94.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.574 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -63.23 -34.66 78.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.731 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -58.79 -45.13 90.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.362 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.6 -43.46 96.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.505 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.97 -44.75 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.639 -179.715 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 C--O 1.231 0.081 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -56.24 -52.59 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.877 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -71.66 -46.04 60.11 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.014 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.8 mm -64.89 -43.98 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.323 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -66.88 -46.33 75.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.272 0.558 . . . . 0.0 110.299 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -65.12 -38.93 92.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.555 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -54.7 -33.6 55.42 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.68 -44.66 99.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.92 -46.79 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.696 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -66.32 -44.76 82.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.366 . . . . 0.0 110.767 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 8' ' ' GLY . 51.0 t -59.73 -45.95 94.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.007 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.38 -29.64 74.42 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -57.73 -43.39 85.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.481 -0.36 . . . . 0.0 110.905 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.0 p -66.56 -36.53 82.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.737 0.304 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm -63.3 -49.24 83.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.683 -0.407 . . . . 0.0 109.919 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.1 -46.83 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.631 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.75 -42.74 99.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.681 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.62 -44.45 96.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.555 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.88 -44.37 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.621 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.558 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 . . . . . 0 N--CA 1.461 0.118 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -57.34 -55.07 39.59 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.054 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -71.76 -43.81 65.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.4 . . . . 0.0 111.468 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.2 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.182 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -68.54 -43.08 77.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.018 0.437 . . . . 0.0 110.734 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -60.42 -39.71 88.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.835 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -69.58 -39.2 78.85 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.45 -52.31 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.092 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.7 p -62.92 -34.06 64.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.817 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -64.02 -49.99 70.24 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 8' ' ' GLY . 41.5 t -45.62 -29.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.158 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.51 -34.47 57.1 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' HIS . 63.5 mttp -61.97 -44.39 96.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.803 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.9 p -68.98 -43.62 74.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.404 . . . . 0.0 110.793 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.08 -43.76 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.47 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.455 ' CE1' ' OG1' ' A' ' 21' ' ' THR . 66.4 t-80 -59.02 -34.32 71.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.68 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.2 tpt85 -55.73 -44.32 77.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.575 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 19' ' ' LEU . 11.0 mp -61.41 -42.38 98.65 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.09 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.249 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.455 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 2.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.486 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--O 1.233 0.223 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -70.77 -55.61 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.376 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -71.27 -51.75 22.73 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.414 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 9.1 tp -53.09 -38.51 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.413 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 89.2 t80 -68.29 -41.6 80.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.046 0.45 . . . . 0.0 111.201 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -62.6 -36.39 82.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.041 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.32 -34.44 41.1 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.69 ' N ' HD12 ' A' ' 9' ' ' ILE . 2.0 mp -64.28 -42.56 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.37 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.21 -46.47 92.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.738 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -61.98 -47.66 83.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.513 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.3 t -60.71 -46.07 96.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.112 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' ND1' ' A' ' 17' ' ' HIS . . . -68.43 -32.84 75.95 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.23 -45.48 94.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.63 0.252 . . . . 0.0 110.573 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.2 p -70.74 -40.68 72.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.48 -44.45 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.424 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 13' ' ' GLY . 0.5 OUTLIER -62.21 -39.38 92.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -64.14 -42.04 96.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.32 -44.28 96.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.364 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.4 -45.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.71 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.525 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.969 0.414 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -54.12 -33.26 57.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.695 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -64.04 -43.5 95.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.227 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.98 -43.25 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.539 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -66.23 -42.39 88.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.483 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -61.67 -36.63 81.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.44 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.449 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -55.03 -33.69 57.53 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.66 -43.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.1 t -59.74 -43.92 92.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.171 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -65.08 -44.34 89.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.388 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 8' ' ' GLY . 65.2 t -60.11 -45.49 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.056 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.98 -32.84 69.74 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -61.18 -45.52 94.26 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.346 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.2 m -67.41 -43.99 79.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.689 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.93 -44.0 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.317 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -58.09 -35.79 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.506 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -69.43 -39.36 77.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.496 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.48 -47.87 83.68 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.6 m -63.4 -38.84 83.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.999 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.511 -179.831 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.232 0.147 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.624 ' NE2' ' NH1' ' A' ' 7' ' ' ARG . 45.0 t-80 -56.15 -55.65 30.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.47 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -71.51 -44.11 65.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.823 0.344 . . . . 0.0 111.642 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.6 mm -63.8 -43.63 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.36 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.528 ' O ' HG22 ' A' ' 9' ' ' ILE . 85.8 t80 -63.94 -48.24 77.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.965 0.412 . . . . 0.0 110.594 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.624 ' NH1' ' NE2' ' A' ' 3' ' ' HIS . 99.4 mtt180 -70.97 -34.4 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.387 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -49.77 -32.05 17.18 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.874 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 6' ' ' PHE . 18.3 tt -57.77 -42.25 81.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.057 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.473 ' N ' HG23 ' A' ' 9' ' ' ILE . 80.9 t -61.83 -46.71 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.554 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -67.01 -43.58 82.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.005 0.431 . . . . 0.0 110.515 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 8' ' ' GLY . 64.3 t -61.21 -46.38 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.295 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 17' ' ' HIS . . . -68.36 -30.03 73.29 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -60.29 -45.28 93.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.579 0.228 . . . . 0.0 111.144 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 88.2 m -65.01 -46.86 79.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.0 mm -64.35 -48.27 86.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.021 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 57.9 m170 -55.02 -41.33 71.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.553 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -69.79 -42.14 74.16 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.74 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.39 -48.93 73.57 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.786 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 21' ' ' THR . 14.6 p -65.25 -41.91 92.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.844 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.471 ' N ' HG13 ' A' ' 20' ' ' VAL . 10.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.352 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 C--O 1.231 0.12 0 N-CA-C 111.467 0.173 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -57.71 -55.26 37.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -71.19 -42.76 68.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 0.0 111.259 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.2 -43.76 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.239 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -67.35 -46.32 73.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 110.711 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -65.46 -38.16 89.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.703 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.448 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -51.91 -33.23 35.67 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.35 -43.1 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.079 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.0 -44.54 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.439 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -65.72 -43.82 87.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.645 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 8' ' ' GLY . 77.7 t -60.4 -47.13 93.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.058 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.53 -34.92 85.59 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.38 -46.1 91.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.671 0.272 . . . . 0.0 110.674 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.1 m -65.72 -43.48 88.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.775 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.4 mm -62.92 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.062 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -57.65 -44.3 85.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.495 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -64.59 -40.32 95.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.23 -43.43 98.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.21 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.6 t -63.31 -44.23 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.487 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.2 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.691 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 98.5 m-85 . . . . . 0 CA--C 1.527 0.063 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -56.97 -53.6 56.15 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.919 -0.713 . . . . 0.0 111.095 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -71.12 -45.66 63.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.967 0.413 . . . . 0.0 111.368 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.17 -43.66 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.577 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.407 ' CB ' ' O ' ' A' ' 2' ' ' PHE . 63.8 t80 -67.91 -45.52 74.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.092 0.472 . . . . 0.0 110.473 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.2 tpt85 -66.13 -38.41 88.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.753 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -54.47 -33.43 53.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.42 -43.44 98.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.007 0.432 . . . . 0.0 109.934 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.66 -45.98 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.133 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -64.65 -48.03 76.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.995 0.426 . . . . 0.0 110.41 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 8' ' ' GLY . 29.9 t -45.55 -30.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.393 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.46 -37.57 69.44 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -63.12 -42.66 99.58 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 p -65.33 -48.99 71.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.3 mp -68.07 -46.53 81.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.94 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -57.25 -45.62 83.79 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.829 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -61.16 -43.5 98.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.413 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.4 tp -61.67 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.624 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -61.99 -44.6 99.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.075 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.553 ' O ' HG22 ' A' ' 21' ' ' THR . 91.7 m . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.148 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -48.1 -37.89 16.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.286 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -57.9 -54.38 47.54 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -68.9 -44.25 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 111.052 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.05 -43.45 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.113 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -65.05 -47.38 77.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.928 0.394 . . . . 0.0 110.778 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -66.42 -36.59 83.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.059 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.41 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -54.17 -33.92 52.5 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.37 -43.78 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t -60.22 -45.42 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.508 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -62.74 -47.15 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.436 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 8' ' ' GLY . 78.4 t -60.52 -46.32 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.102 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.59 -35.33 86.12 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.53 -45.74 92.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.734 0.302 . . . . 0.0 110.519 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.1 m -67.16 -44.14 80.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.55 -45.15 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -60.27 -41.26 92.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -63.23 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.343 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.98 -43.81 98.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.379 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.494 ' C ' ' H ' ' A' ' 22' ' ' GLY . 87.6 t -61.93 -44.5 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.522 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -67.75 10.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.529 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . 80.15 -0.02 84.84 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.028 0 O-C-N 122.509 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -49.83 -35.15 21.97 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -58.06 -54.44 46.97 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.954 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -71.17 -43.08 68.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.902 0.382 . . . . 0.0 111.477 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.37 -43.58 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.105 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -66.42 -45.11 80.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.022 0.439 . . . . 0.0 110.928 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -65.7 -36.19 82.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.03 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -54.11 -33.58 51.62 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mm -63.12 -44.45 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.67 -46.17 96.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.402 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -66.73 -43.78 83.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 110.502 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 8' ' ' GLY . 50.1 t -61.22 -45.2 99.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.192 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.69 -29.11 68.02 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -52.66 -43.11 65.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.643 0.258 . . . . 0.0 110.582 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -63.94 -43.89 94.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.025 0.44 . . . . 0.0 110.72 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.571 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.5 mp -64.35 -47.0 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -56.25 -47.09 79.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -63.46 -41.19 98.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.06 -43.97 97.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.571 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 16' ' ' ILE . 76.6 t -62.32 -44.35 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 44.4 p -71.7 4.44 3.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.49 0.02 0.05 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.034 0 O-C-N 122.517 -0.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.429 ' CZ ' ' CD1' ' A' ' 6' ' ' PHE . 79.7 t80 -49.61 -40.14 38.01 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -55.66 -54.36 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.95 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -70.41 -45.05 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.04 0.448 . . . . 0.0 111.572 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.52 -43.65 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.205 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.429 ' CD1' ' CZ ' ' A' ' 2' ' ' PHE . 75.3 t80 -66.77 -45.12 79.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.005 0.431 . . . . 0.0 110.815 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -66.15 -37.51 85.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.108 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.68 -36.32 89.24 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.84 -44.64 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.024 0.44 . . . . 0.0 109.971 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.35 -45.44 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.864 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -64.15 -53.88 42.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.603 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -46.34 -31.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.187 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.94 -34.14 48.54 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -61.26 -43.98 97.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.615 0.245 . . . . 0.0 110.526 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -70.27 -43.17 71.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.906 0.384 . . . . 0.0 110.721 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.38 -43.78 94.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.574 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -63.23 -34.66 78.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.731 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -58.79 -45.13 90.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.362 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.6 -43.46 96.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.505 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.97 -44.75 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.1 m -63.88 99.47 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.639 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.8 -0.03 0.04 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.057 0 O-C-N 122.448 -0.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -49.82 -34.21 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -56.24 -52.59 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.877 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -71.66 -46.04 60.11 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.014 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.8 mm -64.89 -43.98 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.323 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -66.88 -46.33 75.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.272 0.558 . . . . 0.0 110.299 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -65.12 -38.93 92.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.555 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -54.7 -33.6 55.42 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.68 -44.66 99.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.92 -46.79 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.696 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -66.32 -44.76 82.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.366 . . . . 0.0 110.767 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 8' ' ' GLY . 51.0 t -59.73 -45.95 94.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.007 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.38 -29.64 74.42 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -57.73 -43.39 85.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.481 -0.36 . . . . 0.0 110.905 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.0 p -66.56 -36.53 82.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.737 0.304 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm -63.3 -49.24 83.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.683 -0.407 . . . . 0.0 109.919 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.1 -46.83 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.631 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.75 -42.74 99.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.681 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.62 -44.45 96.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.555 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.88 -44.37 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.621 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 p -68.58 94.6 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.558 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.52 -0.06 0.03 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.039 0 O-C-N 122.564 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -50.71 -35.18 29.97 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -57.34 -55.07 39.59 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.054 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -71.76 -43.81 65.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.4 . . . . 0.0 111.468 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.2 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.182 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -68.54 -43.08 77.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.018 0.437 . . . . 0.0 110.734 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -60.42 -39.71 88.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.835 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -69.58 -39.2 78.85 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.45 -52.31 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.092 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.7 p -62.92 -34.06 64.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.817 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -64.02 -49.99 70.24 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 8' ' ' GLY . 41.5 t -45.62 -29.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.158 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.51 -34.47 57.1 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' HIS . 63.5 mttp -61.97 -44.39 96.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.803 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.9 p -68.98 -43.62 74.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.404 . . . . 0.0 110.793 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.08 -43.76 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.47 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.455 ' CE1' ' OG1' ' A' ' 21' ' ' THR . 66.4 t-80 -59.02 -34.32 71.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.68 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.2 tpt85 -55.73 -44.32 77.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.575 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 19' ' ' LEU . 11.0 mp -61.41 -42.38 98.65 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.09 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.249 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.455 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 2.2 m -71.67 1.66 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.486 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.59 0.02 10.98 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.011 0 O-C-N 122.5 -0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.444 ' O ' HG22 ' A' ' 5' ' ' ILE . 88.1 m-85 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -47.5 -34.14 7.13 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -70.77 -55.61 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.376 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -71.27 -51.75 22.73 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 1' ' ' PHE . 9.1 tp -53.09 -38.51 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.413 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 89.2 t80 -68.29 -41.6 80.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.046 0.45 . . . . 0.0 111.201 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -62.6 -36.39 82.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.041 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.32 -34.44 41.1 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.69 ' N ' HD12 ' A' ' 9' ' ' ILE . 2.0 mp -64.28 -42.56 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.37 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.21 -46.47 92.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.738 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -61.98 -47.66 83.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.513 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.3 t -60.71 -46.07 96.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.112 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' ND1' ' A' ' 17' ' ' HIS . . . -68.43 -32.84 75.95 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.23 -45.48 94.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.63 0.252 . . . . 0.0 110.573 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.2 p -70.74 -40.68 72.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.48 -44.45 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.424 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 13' ' ' GLY . 0.5 OUTLIER -62.21 -39.38 92.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -64.14 -42.04 96.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.32 -44.28 96.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.364 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.4 -45.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.71 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.9 p -66.32 97.06 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.525 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.64 -0.04 6.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.037 0 O-C-N 122.501 -0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.7 t80 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -71.81 -55.26 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.424 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -54.12 -33.26 57.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.695 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -64.04 -43.5 95.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.227 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.98 -43.25 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.539 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -66.23 -42.39 88.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.483 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -61.67 -36.63 81.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.44 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.449 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -55.03 -33.69 57.53 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.66 -43.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.1 t -59.74 -43.92 92.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.171 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -65.08 -44.34 89.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.388 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 8' ' ' GLY . 65.2 t -60.11 -45.49 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.056 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.98 -32.84 69.74 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -61.18 -45.52 94.26 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.346 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.2 m -67.41 -43.99 79.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.689 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.93 -44.0 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.317 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -58.09 -35.79 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.506 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -69.43 -39.36 77.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.496 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.48 -47.87 83.68 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' C ' ' H ' ' A' ' 22' ' ' GLY . 17.6 m -63.4 -38.84 83.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.999 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p -71.51 10.75 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.511 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . 72.52 0.04 45.16 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.057 0 O-C-N 122.529 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -50.01 -41.55 47.48 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.624 ' NE2' ' NH1' ' A' ' 7' ' ' ARG . 45.0 t-80 -56.15 -55.65 30.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.47 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -71.51 -44.11 65.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.823 0.344 . . . . 0.0 111.642 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.6 mm -63.8 -43.63 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.36 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.528 ' O ' HG22 ' A' ' 9' ' ' ILE . 85.8 t80 -63.94 -48.24 77.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.965 0.412 . . . . 0.0 110.594 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.624 ' NH1' ' NE2' ' A' ' 3' ' ' HIS . 99.4 mtt180 -70.97 -34.4 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.387 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -49.77 -32.05 17.18 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.874 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 6' ' ' PHE . 18.3 tt -57.77 -42.25 81.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.057 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.473 ' N ' HG23 ' A' ' 9' ' ' ILE . 80.9 t -61.83 -46.71 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.554 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -67.01 -43.58 82.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.005 0.431 . . . . 0.0 110.515 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 8' ' ' GLY . 64.3 t -61.21 -46.38 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.295 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 17' ' ' HIS . . . -68.36 -30.03 73.29 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -60.29 -45.28 93.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.579 0.228 . . . . 0.0 111.144 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 88.2 m -65.01 -46.86 79.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.0 mm -64.35 -48.27 86.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.021 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 57.9 m170 -55.02 -41.33 71.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.553 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -69.79 -42.14 74.16 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.74 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.39 -48.93 73.57 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.786 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 21' ' ' THR . 14.6 p -65.25 -41.91 92.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.844 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.675 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 10.3 p -61.91 101.13 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.352 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.83 -0.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . 0.675 ' N ' ' O ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.04 0 O-C-N 122.472 -0.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -47.76 -38.71 16.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.467 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -57.71 -55.26 37.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -71.19 -42.76 68.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 0.0 111.259 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.2 -43.76 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.239 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -67.35 -46.32 73.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 110.711 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -65.46 -38.16 89.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.703 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.448 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -51.91 -33.23 35.67 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.35 -43.1 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.079 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.0 -44.54 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.439 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -65.72 -43.82 87.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.645 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 8' ' ' GLY . 77.7 t -60.4 -47.13 93.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.058 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.53 -34.92 85.59 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.38 -46.1 91.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.671 0.272 . . . . 0.0 110.674 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.1 m -65.72 -43.48 88.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.775 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.4 mm -62.92 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.062 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -57.65 -44.3 85.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.495 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -64.59 -40.32 95.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.23 -43.43 98.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.21 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.418 ' C ' ' H ' ' A' ' 22' ' ' GLY . 81.6 t -63.31 -44.23 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.487 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.2 p -71.1 7.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.691 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . 76.95 -0.06 67.71 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.042 0 O-C-N 122.572 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 98.5 m-85 -53.24 -34.8 58.64 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -56.97 -53.6 56.15 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.919 -0.713 . . . . 0.0 111.095 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -71.12 -45.66 63.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.967 0.413 . . . . 0.0 111.368 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.17 -43.66 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.577 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' CB ' ' O ' ' A' ' 2' ' ' PHE . 63.8 t80 -67.91 -45.52 74.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.092 0.472 . . . . 0.0 110.473 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.2 tpt85 -66.13 -38.41 88.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.753 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -54.47 -33.43 53.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.42 -43.44 98.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.007 0.432 . . . . 0.0 109.934 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.66 -45.98 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.133 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -64.65 -48.03 76.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.995 0.426 . . . . 0.0 110.41 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 8' ' ' GLY . 29.9 t -45.55 -30.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.393 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.46 -37.57 69.44 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -63.12 -42.66 99.58 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 p -65.33 -48.99 71.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.3 mp -68.07 -46.53 81.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.94 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -57.25 -45.62 83.79 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.829 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -61.16 -43.5 98.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.413 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.4 tp -61.67 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.624 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -61.99 -44.6 99.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.075 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.553 ' O ' HG22 ' A' ' 21' ' ' THR . 91.7 m -71.27 2.32 4.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.148 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.72 -0.04 30.46 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.026 0 O-C-N 122.519 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 t80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.426 0.155 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -57.9 -54.38 47.54 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -68.9 -44.25 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 111.052 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.05 -43.45 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.113 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -65.05 -47.38 77.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.928 0.394 . . . . 0.0 110.778 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -66.42 -36.59 83.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.059 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.41 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -54.17 -33.92 52.5 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.37 -43.78 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t -60.22 -45.42 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.508 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -62.74 -47.15 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.436 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 8' ' ' GLY . 78.4 t -60.52 -46.32 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.102 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' A' ' 17' ' ' HIS . . . -67.59 -35.33 86.12 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.53 -45.74 92.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.734 0.302 . . . . 0.0 110.519 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.1 m -67.16 -44.14 80.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.55 -45.15 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 62.0 m-70 -60.27 -41.26 92.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -63.23 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.343 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.98 -43.81 98.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.379 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.6 t -61.93 -44.5 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.522 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.529 179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -58.06 -54.44 46.97 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.954 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -71.17 -43.08 68.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.902 0.382 . . . . 0.0 111.477 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.37 -43.58 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.105 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -66.42 -45.11 80.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.022 0.439 . . . . 0.0 110.928 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -65.7 -36.19 82.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.03 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -54.11 -33.58 51.62 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mm -63.12 -44.45 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.67 -46.17 96.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.402 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -66.73 -43.78 83.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 110.502 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 8' ' ' GLY . 50.1 t -61.22 -45.2 99.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.192 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.69 -29.11 68.02 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -52.66 -43.11 65.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.643 0.258 . . . . 0.0 110.582 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -63.94 -43.89 94.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.025 0.44 . . . . 0.0 110.72 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.571 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.5 mp -64.35 -47.0 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -56.25 -47.09 79.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -63.46 -41.19 98.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.06 -43.97 97.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.571 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 16' ' ' ILE . 76.6 t -62.32 -44.35 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.4 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.429 ' CZ ' ' CD1' ' A' ' 6' ' ' PHE . 79.7 t80 . . . . . 0 CA--C 1.527 0.066 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -55.66 -54.36 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.95 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -70.41 -45.05 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.04 0.448 . . . . 0.0 111.572 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.52 -43.65 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.205 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.429 ' CD1' ' CZ ' ' A' ' 2' ' ' PHE . 75.3 t80 -66.77 -45.12 79.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.005 0.431 . . . . 0.0 110.815 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -66.15 -37.51 85.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.108 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.68 -36.32 89.24 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.84 -44.64 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.024 0.44 . . . . 0.0 109.971 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.35 -45.44 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.864 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -64.15 -53.88 42.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.603 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -46.34 -31.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.187 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.53 ' O ' ' CD2' ' A' ' 17' ' ' HIS . . . -75.94 -34.14 48.54 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -61.26 -43.98 97.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.615 0.245 . . . . 0.0 110.526 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -70.27 -43.17 71.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.906 0.384 . . . . 0.0 110.721 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.38 -43.78 94.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.574 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 53.1 m-70 -63.23 -34.66 78.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.731 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -58.79 -45.13 90.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.362 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.6 -43.46 96.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.505 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.97 -44.75 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.639 -179.715 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 . . . . . 0 C--O 1.231 0.081 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -56.24 -52.59 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.877 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -71.66 -46.04 60.11 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.014 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.8 mm -64.89 -43.98 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.323 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -66.88 -46.33 75.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.272 0.558 . . . . 0.0 110.299 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -65.12 -38.93 92.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.555 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -54.7 -33.6 55.42 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.68 -44.66 99.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.92 -46.79 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.696 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -66.32 -44.76 82.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.366 . . . . 0.0 110.767 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 8' ' ' GLY . 51.0 t -59.73 -45.95 94.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.007 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.38 -29.64 74.42 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -57.73 -43.39 85.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.481 -0.36 . . . . 0.0 110.905 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.0 p -66.56 -36.53 82.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.737 0.304 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm -63.3 -49.24 83.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.683 -0.407 . . . . 0.0 109.919 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.1 -46.83 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.631 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.75 -42.74 99.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.681 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.62 -44.45 96.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.555 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.88 -44.37 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.621 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.558 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 . . . . . 0 N--CA 1.461 0.118 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -57.34 -55.07 39.59 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.054 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -71.76 -43.81 65.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.4 . . . . 0.0 111.468 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.2 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.182 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -68.54 -43.08 77.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.018 0.437 . . . . 0.0 110.734 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -60.42 -39.71 88.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.835 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -69.58 -39.2 78.85 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.45 -52.31 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.092 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.7 p -62.92 -34.06 64.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.817 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -64.02 -49.99 70.24 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 8' ' ' GLY . 41.5 t -45.62 -29.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.158 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.51 -34.47 57.1 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' HIS . 63.5 mttp -61.97 -44.39 96.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.803 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.9 p -68.98 -43.62 74.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.404 . . . . 0.0 110.793 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.08 -43.76 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.47 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.455 ' CE1' ' OG1' ' A' ' 21' ' ' THR . 66.4 t-80 -59.02 -34.32 71.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.68 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.2 tpt85 -55.73 -44.32 77.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.575 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 19' ' ' LEU . 11.0 mp -61.41 -42.38 98.65 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.09 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.249 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.455 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 2.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.486 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--O 1.233 0.223 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -70.77 -55.61 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.376 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -71.27 -51.75 22.73 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.414 ' O ' ' CD1' ' A' ' 9' ' ' ILE . 9.1 tp -53.09 -38.51 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.413 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 89.2 t80 -68.29 -41.6 80.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.046 0.45 . . . . 0.0 111.201 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -62.6 -36.39 82.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.041 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.32 -34.44 41.1 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.69 ' N ' HD12 ' A' ' 9' ' ' ILE . 2.0 mp -64.28 -42.56 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.37 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.21 -46.47 92.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.738 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -61.98 -47.66 83.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.513 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.3 t -60.71 -46.07 96.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.112 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' ND1' ' A' ' 17' ' ' HIS . . . -68.43 -32.84 75.95 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.23 -45.48 94.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.63 0.252 . . . . 0.0 110.573 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.2 p -70.74 -40.68 72.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.48 -44.45 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.424 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 13' ' ' GLY . 0.5 OUTLIER -62.21 -39.38 92.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -64.14 -42.04 96.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.32 -44.28 96.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.364 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.4 -45.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.71 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.9 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.525 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.969 0.414 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -54.12 -33.26 57.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.695 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -64.04 -43.5 95.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.227 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.98 -43.25 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.539 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -66.23 -42.39 88.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.483 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -61.67 -36.63 81.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.44 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.449 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -55.03 -33.69 57.53 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.66 -43.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.1 t -59.74 -43.92 92.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.171 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -65.08 -44.34 89.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.388 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 8' ' ' GLY . 65.2 t -60.11 -45.49 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.056 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.98 -32.84 69.74 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -61.18 -45.52 94.26 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.346 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.2 m -67.41 -43.99 79.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.689 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.93 -44.0 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.317 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -58.09 -35.79 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.506 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -69.43 -39.36 77.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.496 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.48 -47.87 83.68 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.6 m -63.4 -38.84 83.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.999 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.511 -179.831 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.8 t80 . . . . . 0 C--O 1.232 0.147 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.624 ' NE2' ' NH1' ' A' ' 7' ' ' ARG . 45.0 t-80 -56.15 -55.65 30.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.47 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -71.51 -44.11 65.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.823 0.344 . . . . 0.0 111.642 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.6 mm -63.8 -43.63 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.36 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.528 ' O ' HG22 ' A' ' 9' ' ' ILE . 85.8 t80 -63.94 -48.24 77.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.965 0.412 . . . . 0.0 110.594 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.624 ' NH1' ' NE2' ' A' ' 3' ' ' HIS . 99.4 mtt180 -70.97 -34.4 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.387 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -49.77 -32.05 17.18 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.874 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 6' ' ' PHE . 18.3 tt -57.77 -42.25 81.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.057 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.473 ' N ' HG23 ' A' ' 9' ' ' ILE . 80.9 t -61.83 -46.71 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.554 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -67.01 -43.58 82.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.005 0.431 . . . . 0.0 110.515 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 8' ' ' GLY . 64.3 t -61.21 -46.38 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.295 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 17' ' ' HIS . . . -68.36 -30.03 73.29 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -60.29 -45.28 93.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.579 0.228 . . . . 0.0 111.144 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 88.2 m -65.01 -46.86 79.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.0 mm -64.35 -48.27 86.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.021 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 57.9 m170 -55.02 -41.33 71.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.553 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -69.79 -42.14 74.16 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.74 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.39 -48.93 73.57 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.786 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 21' ' ' THR . 14.6 p -65.25 -41.91 92.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.844 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.471 ' N ' HG13 ' A' ' 20' ' ' VAL . 10.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.352 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.4 t80 . . . . . 0 C--O 1.231 0.12 0 N-CA-C 111.467 0.173 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -57.71 -55.26 37.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -71.19 -42.76 68.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 0.0 111.259 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.2 -43.76 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.239 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -67.35 -46.32 73.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 110.711 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -65.46 -38.16 89.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.703 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.448 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -51.91 -33.23 35.67 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.35 -43.1 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.079 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.0 -44.54 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.439 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -65.72 -43.82 87.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.645 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 8' ' ' GLY . 77.7 t -60.4 -47.13 93.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.058 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.53 -34.92 85.59 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.38 -46.1 91.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.671 0.272 . . . . 0.0 110.674 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.1 m -65.72 -43.48 88.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.775 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.4 mm -62.92 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.062 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -57.65 -44.3 85.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.495 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -64.59 -40.32 95.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.23 -43.43 98.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.21 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.6 t -63.31 -44.23 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.487 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.2 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.691 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 98.5 m-85 . . . . . 0 CA--C 1.527 0.063 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -56.97 -53.6 56.15 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.919 -0.713 . . . . 0.0 111.095 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -71.12 -45.66 63.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.967 0.413 . . . . 0.0 111.368 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.17 -43.66 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.577 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.407 ' CB ' ' O ' ' A' ' 2' ' ' PHE . 63.8 t80 -67.91 -45.52 74.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.092 0.472 . . . . 0.0 110.473 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.2 tpt85 -66.13 -38.41 88.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.753 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -54.47 -33.43 53.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.42 -43.44 98.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.007 0.432 . . . . 0.0 109.934 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.66 -45.98 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.133 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -64.65 -48.03 76.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.995 0.426 . . . . 0.0 110.41 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 8' ' ' GLY . 29.9 t -45.55 -30.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.393 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.46 -37.57 69.44 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -63.12 -42.66 99.58 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 p -65.33 -48.99 71.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.3 mp -68.07 -46.53 81.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.94 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -57.25 -45.62 83.79 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.829 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -61.16 -43.5 98.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.413 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.4 tp -61.67 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.624 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -61.99 -44.6 99.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.075 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.553 ' O ' HG22 ' A' ' 21' ' ' THR . 91.7 m . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.148 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -48.1 -37.89 16.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.286 -178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -57.9 -54.38 47.54 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -68.9 -44.25 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 111.052 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.05 -43.45 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.113 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -65.05 -47.38 77.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.928 0.394 . . . . 0.0 110.778 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -66.42 -36.59 83.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.059 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.41 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -54.17 -33.92 52.5 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.37 -43.78 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.5 t -60.22 -45.42 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.508 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -62.74 -47.15 84.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.436 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 8' ' ' GLY . 78.4 t -60.52 -46.32 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.102 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.518 ' O ' ' CD2' ' A' ' 17' ' ' HIS . . . -67.59 -35.33 86.12 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -60.53 -45.74 92.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.734 0.302 . . . . 0.0 110.519 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.1 m -67.16 -44.14 80.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.618 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.55 -45.15 98.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.255 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 62.0 m-70 -60.27 -41.26 92.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.609 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 60.2 ttt85 -63.23 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.343 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.98 -43.81 98.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.379 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.494 ' C ' ' H ' ' A' ' 22' ' ' GLY . 87.6 t -61.93 -44.5 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.522 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -67.75 10.26 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.529 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.494 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . 80.15 -0.02 84.84 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.028 0 O-C-N 122.509 -0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -49.83 -35.15 21.97 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -58.06 -54.44 46.97 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.954 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -71.17 -43.08 68.19 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.902 0.382 . . . . 0.0 111.477 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.37 -43.58 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.105 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -66.42 -45.11 80.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.022 0.439 . . . . 0.0 110.928 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -65.7 -36.19 82.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.03 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -54.11 -33.58 51.62 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 mm -63.12 -44.45 99.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.67 -46.17 96.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.402 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -66.73 -43.78 83.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.932 0.396 . . . . 0.0 110.502 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 8' ' ' GLY . 50.1 t -61.22 -45.2 99.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.192 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -71.69 -29.11 68.02 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -52.66 -43.11 65.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.643 0.258 . . . . 0.0 110.582 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -63.94 -43.89 94.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.025 0.44 . . . . 0.0 110.72 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.571 ' N ' HD12 ' A' ' 16' ' ' ILE . 1.5 mp -64.35 -47.0 91.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -56.25 -47.09 79.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -63.46 -41.19 98.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.06 -43.97 97.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.571 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 16' ' ' ILE . 76.6 t -62.32 -44.35 99.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.361 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 44.4 p -71.7 4.44 3.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.563 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 53.49 0.02 0.05 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.034 0 O-C-N 122.517 -0.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.429 ' CZ ' ' CD1' ' A' ' 6' ' ' PHE . 79.7 t80 -49.61 -40.14 38.01 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -178.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -55.66 -54.36 45.2 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.95 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -70.41 -45.05 66.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.04 0.448 . . . . 0.0 111.572 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.52 -43.65 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.205 -179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.429 ' CD1' ' CZ ' ' A' ' 2' ' ' PHE . 75.3 t80 -66.77 -45.12 79.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.005 0.431 . . . . 0.0 110.815 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -66.15 -37.51 85.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.108 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.68 -36.32 89.24 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.84 -44.64 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.024 0.44 . . . . 0.0 109.971 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.35 -45.44 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.864 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -64.15 -53.88 42.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.603 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.4 t -46.34 -31.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.187 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.53 ' O ' ' CD2' ' A' ' 17' ' ' HIS . . . -75.94 -34.14 48.54 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -61.26 -43.98 97.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.615 0.245 . . . . 0.0 110.526 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.4 p -70.27 -43.17 71.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.906 0.384 . . . . 0.0 110.721 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.38 -43.78 94.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.574 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.53 ' CD2' ' O ' ' A' ' 13' ' ' GLY . 53.1 m-70 -63.23 -34.66 78.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.731 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.8 ttm-85 -58.79 -45.13 90.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.362 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.5 mt -63.6 -43.46 96.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.505 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 81.9 t -63.97 -44.75 97.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.543 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.1 m -63.88 99.47 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.639 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.8 -0.03 0.04 OUTLIER Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.057 0 O-C-N 122.448 -0.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -49.82 -34.21 18.99 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -56.24 -52.59 63.9 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.877 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -71.66 -46.04 60.11 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.363 -0.38 . . . . 0.0 112.014 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 45.8 mm -64.89 -43.98 96.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.323 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -66.88 -46.33 75.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.272 0.558 . . . . 0.0 110.299 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -65.12 -38.93 92.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.555 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.575 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -54.7 -33.6 55.42 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.68 -44.66 99.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.92 -46.79 95.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.696 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -66.32 -44.76 82.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.868 0.366 . . . . 0.0 110.767 179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 8' ' ' GLY . 51.0 t -59.73 -45.95 94.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.007 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.38 -29.64 74.42 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp -57.73 -43.39 85.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.481 -0.36 . . . . 0.0 110.905 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 32.0 p -66.56 -36.53 82.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.737 0.304 . . . . 0.0 110.864 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.4 mm -63.3 -49.24 83.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.683 -0.407 . . . . 0.0 109.919 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.1 -46.83 82.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.631 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -62.75 -42.74 99.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.681 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.9 tp -62.62 -44.45 96.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.555 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -63.88 -44.37 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.621 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.9 p -68.58 94.6 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.558 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -176.52 -0.06 0.03 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.039 0 O-C-N 122.564 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -50.71 -35.18 29.97 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -57.34 -55.07 39.59 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.054 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -71.76 -43.81 65.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.4 . . . . 0.0 111.468 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.2 -43.74 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.182 -178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -68.54 -43.08 77.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.018 0.437 . . . . 0.0 110.734 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.7 tpp85 -60.42 -39.71 88.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.835 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -69.58 -39.2 78.85 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.45 -52.31 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.092 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.7 p -62.92 -34.06 64.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.785 0.326 . . . . 0.0 110.817 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -64.02 -49.99 70.24 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 8' ' ' GLY . 41.5 t -45.62 -29.44 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.158 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.51 -34.47 57.1 Favored Glycine 0 CA--C 1.527 0.796 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' HIS . 63.5 mttp -61.97 -44.39 96.85 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.803 -179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.9 p -68.98 -43.62 74.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.404 . . . . 0.0 110.793 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.08 -43.76 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.47 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.455 ' CE1' ' OG1' ' A' ' 21' ' ' THR . 66.4 t-80 -59.02 -34.32 71.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.68 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.2 tpt85 -55.73 -44.32 77.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.575 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 19' ' ' LEU . 11.0 mp -61.41 -42.38 98.65 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.09 -44.71 99.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.249 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.455 ' OG1' ' CE1' ' A' ' 17' ' ' HIS . 2.2 m -71.67 1.66 6.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.486 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -67.59 0.02 10.98 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.359 1.011 0 O-C-N 122.5 -0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.444 ' O ' HG22 ' A' ' 5' ' ' ILE . 88.1 m-85 . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -47.5 -34.14 7.13 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.725 0.268 . . . . 0.0 111.725 -177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -70.77 -55.61 8.21 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.376 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -71.27 -51.75 22.73 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 1' ' ' PHE . 9.1 tp -53.09 -38.51 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.413 ' N ' ' CG2' ' A' ' 5' ' ' ILE . 89.2 t80 -68.29 -41.6 80.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.046 0.45 . . . . 0.0 111.201 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.9 ttm180 -62.6 -36.39 82.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.041 -179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.32 -34.44 41.1 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.426 -0.669 . . . . 0.0 111.426 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.69 ' N ' HD12 ' A' ' 9' ' ' ILE . 2.0 mp -64.28 -42.56 95.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.763 0.316 . . . . 0.0 110.37 179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.21 -46.47 92.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.738 -178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -61.98 -47.66 83.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.513 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.3 t -60.71 -46.07 96.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.112 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.429 ' O ' ' ND1' ' A' ' 17' ' ' HIS . . . -68.43 -32.84 75.95 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.109 -0.796 . . . . 0.0 111.109 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -61.23 -45.48 94.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.63 0.252 . . . . 0.0 110.573 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.2 p -70.74 -40.68 72.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.48 -44.45 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.424 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.429 ' ND1' ' O ' ' A' ' 13' ' ' GLY . 0.5 OUTLIER -62.21 -39.38 92.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.635 -179.739 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -64.14 -42.04 96.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.8 tp -62.32 -44.28 96.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.364 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.4 -45.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.71 -179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.9 p -66.32 97.06 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.525 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.64 -0.04 6.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.037 0 O-C-N 122.501 -0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 88.7 t80 . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -71.81 -55.26 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.424 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.4 p80 -54.12 -33.26 57.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.695 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -64.04 -43.5 95.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.227 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.98 -43.25 97.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.539 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -66.23 -42.39 88.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.483 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -61.67 -36.63 81.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.44 -179.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.449 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -55.03 -33.69 57.53 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.66 -43.5 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.1 t -59.74 -43.92 92.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.171 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -65.08 -44.34 89.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.938 0.399 . . . . 0.0 110.388 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 8' ' ' GLY . 65.2 t -60.11 -45.49 95.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.056 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.98 -32.84 69.74 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.9 tptt -61.18 -45.52 94.26 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.894 -0.322 . . . . 0.0 110.346 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.2 m -67.41 -43.99 79.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.689 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.93 -44.0 97.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.317 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 62.2 t-80 -58.09 -35.79 71.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.506 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -69.43 -39.36 77.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.496 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.48 -47.87 83.68 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 111.619 0.229 . . . . 0.0 111.619 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' C ' ' H ' ' A' ' 22' ' ' GLY . 17.6 m -63.4 -38.84 83.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.999 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 p -71.51 10.75 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.511 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . 72.52 0.04 45.16 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.057 0 O-C-N 122.529 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -50.01 -41.55 47.48 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.624 ' NE2' ' NH1' ' A' ' 7' ' ' ARG . 45.0 t-80 -56.15 -55.65 30.48 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.47 -179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -71.51 -44.11 65.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.823 0.344 . . . . 0.0 111.642 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 33.6 mm -63.8 -43.63 97.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.36 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.528 ' O ' HG22 ' A' ' 9' ' ' ILE . 85.8 t80 -63.94 -48.24 77.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.965 0.412 . . . . 0.0 110.594 179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.624 ' NH1' ' NE2' ' A' ' 3' ' ' HIS . 99.4 mtt180 -70.97 -34.4 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.387 179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -49.77 -32.05 17.18 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.874 -179.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.528 HG22 ' O ' ' A' ' 6' ' ' PHE . 18.3 tt -57.77 -42.25 81.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.057 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.473 ' N ' HG23 ' A' ' 9' ' ' ILE . 80.9 t -61.83 -46.71 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.554 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -67.01 -43.58 82.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.005 0.431 . . . . 0.0 110.515 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 8' ' ' GLY . 64.3 t -61.21 -46.38 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.295 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CG ' ' A' ' 17' ' ' HIS . . . -68.36 -30.03 73.29 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -60.29 -45.28 93.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.579 0.228 . . . . 0.0 111.144 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 88.2 m -65.01 -46.86 79.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.0 mm -64.35 -48.27 86.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.021 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 57.9 m170 -55.02 -41.33 71.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.553 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -69.79 -42.14 74.16 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.74 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.8 tp -64.39 -48.93 73.57 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.786 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 21' ' ' THR . 14.6 p -65.25 -41.91 92.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.844 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.675 ' O ' ' N ' ' A' ' 23' ' ' NH2 . 10.3 p -61.91 101.13 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.352 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -47.83 -0.01 0.01 OUTLIER Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . 0.675 ' N ' ' O ' ' A' ' 21' ' ' THR . . . . . . . . 0 C--N 1.36 1.04 0 O-C-N 122.472 -0.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -47.76 -38.71 16.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.467 -178.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -57.71 -55.26 37.15 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.709 -0.396 . . . . 0.0 111.059 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -71.19 -42.76 68.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.957 0.408 . . . . 0.0 111.259 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 mm -64.2 -43.76 97.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.239 -179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -67.35 -46.32 73.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 110.711 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -65.46 -38.16 89.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.703 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.448 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -51.91 -33.23 35.67 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.35 -43.1 97.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.842 0.353 . . . . 0.0 110.079 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.1 t -59.0 -44.54 91.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.439 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 69.7 m80 -65.72 -43.82 87.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.645 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 8' ' ' GLY . 77.7 t -60.4 -47.13 93.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.058 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.53 -34.92 85.59 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -60.38 -46.1 91.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.671 0.272 . . . . 0.0 110.674 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.1 m -65.72 -43.48 88.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.986 0.422 . . . . 0.0 110.775 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.4 mm -62.92 -46.03 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.062 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -57.65 -44.3 85.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.495 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -64.59 -40.32 95.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.542 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.0 tp -62.23 -43.43 98.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.21 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.418 ' C ' ' H ' ' A' ' 22' ' ' GLY . 81.6 t -63.31 -44.23 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.487 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.2 p -71.1 7.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.691 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 20' ' ' VAL . . . 76.95 -0.06 67.71 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.042 0 O-C-N 122.572 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 6' ' ' PHE . 98.5 m-85 -53.24 -34.8 58.64 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -56.97 -53.6 56.15 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.919 -0.713 . . . . 0.0 111.095 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -71.12 -45.66 63.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.967 0.413 . . . . 0.0 111.368 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.17 -43.66 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.577 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' CB ' ' O ' ' A' ' 2' ' ' PHE . 63.8 t80 -67.91 -45.52 74.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.092 0.472 . . . . 0.0 110.473 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.2 tpt85 -66.13 -38.41 88.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.753 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.463 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -54.47 -33.43 53.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.5 mt -63.42 -43.44 98.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.007 0.432 . . . . 0.0 109.934 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.8 t -60.66 -45.98 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.133 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -64.65 -48.03 76.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.995 0.426 . . . . 0.0 110.41 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 8' ' ' GLY . 29.9 t -45.55 -30.11 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.393 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.46 -37.57 69.44 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.299 -0.72 . . . . 0.0 111.299 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -63.12 -42.66 99.58 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 p -65.33 -48.99 71.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.982 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.3 mp -68.07 -46.53 81.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.94 179.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -57.25 -45.62 83.79 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.829 -179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -61.16 -43.5 98.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.327 . . . . 0.0 110.413 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 52.4 tp -61.67 -43.27 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.624 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -61.99 -44.6 99.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.075 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.553 ' O ' HG22 ' A' ' 21' ' ' THR . 91.7 m -71.27 2.32 4.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.148 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.72 -0.04 30.46 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.36 1.026 0 O-C-N 122.519 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_